data_2jxy_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 2jxy _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 281' ' ' LEU . . . . . 0.56 HD13 ' CE2' ' A' ' 468' ' ' PHE . 1.3 mt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.262 -0.644 . . . . 3.7599999999999998 109.262 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 282' ' ' CYS . . . . . 1.283 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 83.3 m -84.16 52.75 2.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 3.77 108.252 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -179.04 119.54 0.23 Allowed Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 4.6600000000000001 109.316 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 91.39 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.5 1.789 . . . . 2.8100000000000001 111.0 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 285' ' ' ASN . . . . . 0.436 ' N ' HD21 ' A' ' 285' ' ' ASN . 0.1 OUTLIER 177.68 42.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 3.77 109.321 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -112.17 151.44 29.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 4.3899999999999997 109.355 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 22.7 p -145.28 160.14 41.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 2.6299999999999999 110.046 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -122.72 176.25 6.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 3.1499999999999999 110.984 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.27 -56.1 2.18 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.495 1.122 . . . . 2.29 109.307 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -146.08 159.43 43.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 2.0699999999999998 109.278 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 291' ' ' VAL . . . . . . . . . . . . . 87.0 t -150.3 136.98 12.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 3.3300000000000001 109.302 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 11.4 t -127.63 179.04 5.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 2.0699999999999998 110.339 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 12.2 p -140.37 141.48 35.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 3.3300000000000001 110.421 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 59.4 t -136.05 124.67 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 2.79 109.253 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 56.13 -93.2 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.528 1.143 . . . . 2.1600000000000001 111.041 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 -139.03 28.85 2.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.444 0.732 . . . . 3.8799999999999999 109.312 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . 0.442 ' CB ' HG11 ' A' ' 310' ' ' VAL . 20.8 mtmt -124.43 154.71 40.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 3.1499999999999999 109.303 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 6.6 pt -122.97 121.69 63.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 2.6699999999999999 109.24 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 299' ' ' PHE . . . . . 0.432 ' CD2' ' CD2' ' A' ' 308' ' ' LEU . 16.1 m-85 -110.54 134.52 52.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 4.2000000000000002 111.029 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 300' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -111.88 134.69 53.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 3.8300000000000001 111.019 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 301' ' ' PHE . . . . . 0.556 ' CD2' HD12 ' A' ' 332' ' ' ILE . 9.7 m-85 -99.13 138.11 36.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.174 . . . . 3.4900000000000002 110.956 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 302' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 305' ' ' PHE . 0.6 OUTLIER -135.87 94.53 3.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 3.5600000000000001 109.275 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 55.69 -91.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 3.6200000000000001 109.299 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 304' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 302' ' ' LYS . 0.0 OUTLIER -116.27 -18.51 10.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 6.21 110.308 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 305' ' ' PHE . . . . . 0.45 ' O ' ' N ' ' A' ' 302' ' ' LYS . 96.7 m-85 -100.07 148.31 24.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 4.0099999999999998 111.003 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 306' ' ' PHE . . . . . 0.53 ' C ' ' CD1' ' A' ' 306' ' ' PHE . 3.7 p90 -116.26 158.58 23.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 2.2999999999999998 110.981 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 307' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -110.54 162.9 14.25 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.979 -1.119 . . . . 5.4500000000000002 107.979 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . 0.432 ' CD2' ' CD2' ' A' ' 299' ' ' PHE . 0.2 OUTLIER -154.87 116.92 4.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 2.6699999999999999 109.294 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.25 89.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 3.6899999999999999 109.246 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 310' ' ' VAL . . . . . 0.442 HG11 ' CB ' ' A' ' 297' ' ' LYS . 4.2 p -160.54 167.27 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 2.9199999999999999 109.288 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 311' ' ' SER . . . . . 0.433 ' N ' ' CG2' ' A' ' 310' ' ' VAL . 28.6 t 64.31 -85.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.384 1.053 . . . . 4.2699999999999996 110.039 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -131.71 71.17 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 4.5999999999999996 110.31 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -139.68 106.11 6.98 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 4.9100000000000001 110.295 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -24.63 12.48 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.485 1.781 . . . . 3.2599999999999998 111.03 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.08 158.42 44.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 5.5300000000000002 109.265 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 7.8 p -93.98 167.3 11.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 1.95 110.461 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 74.3 m -140.98 126.0 18.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 2.52 109.959 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 98.4 t -93.94 106.46 18.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 3.4100000000000001 109.324 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 319' ' ' ASN . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 306' ' ' PHE . 1.4 m120 -121.84 166.87 13.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 2.1000000000000001 109.26 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.11 144.6 28.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 2.9700000000000002 109.315 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 321' ' ' ILE . . . . . 0.403 ' C ' ' N ' ' A' ' 323' ' ' SER . 33.0 mt -69.22 -66.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 2.0600000000000001 109.298 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 49.0 m -41.3 -28.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 2.6600000000000001 109.972 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 323' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 321' ' ' ILE . 0.6 OUTLIER -48.71 -39.36 24.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 3.0800000000000001 110.031 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.08 -74.0 0.67 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 2.8300000000000001 109.281 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 325' ' ' TRP . . . . . 0.402 ' HB3' ' CB ' ' A' ' 328' ' ' LEU . 0.0 OUTLIER -56.86 112.19 4.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 2.1000000000000001 108.029 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -83.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.599 1.842 . . . . 2.0499999999999998 111.061 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 327' ' ' THR . . . . . . . . . . . . . 2.9 m -70.12 61.67 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 4.1399999999999997 110.349 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 328' ' ' LEU . . . . . 0.479 ' CD1' ' HD2' ' A' ' 329' ' ' PRO . 0.3 OUTLIER -141.44 130.38 12.44 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 3.6499999999999999 109.284 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 329' ' ' PRO . . . . . 0.558 ' HG3' ' CZ3' ' A' ' 353' ' ' TRP . 18.4 Cg_endo -74.95 172.12 16.98 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.521 1.801 . . . . 2.02 111.077 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.02 150.2 32.3 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.543 1.152 . . . . 2.8500000000000001 110.054 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 85.5 42.48 6.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 1.49 110.97 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.556 HD12 ' CD2' ' A' ' 301' ' ' PHE . 10.6 mt -49.83 137.57 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.489 0.758 . . . . 2.6000000000000001 109.295 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.14 -52.1 5.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 3.71 110.365 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -143.76 129.02 18.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 1.53 109.314 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -117.31 126.11 52.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 1.8600000000000001 109.277 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 336' ' ' TYR . . . . . 0.517 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 10.5 p90 -151.75 126.54 9.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 4.4199999999999999 110.979 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -89.37 175.16 7.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 5.1399999999999997 110.293 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 338' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -133.15 96.31 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 4.0199999999999996 109.284 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -70.75 75.83 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.588 1.18 . . . . 3.7400000000000002 110.29 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -155.58 -58.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 2.6499999999999999 109.313 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -109.24 8.02 25.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 6.4699999999999998 110.324 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 47.0 t30 59.4 66.35 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 2.3999999999999999 109.253 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . 0.419 ' CG ' ' O ' ' A' ' 355' ' ' ILE . 0.0 OUTLIER -128.81 179.73 5.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 3.0499999999999998 110.253 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 344' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' A' ' 355' ' ' ILE . 3.2 t -149.71 150.71 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 2.54 109.316 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 345' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -134.21 133.32 40.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 3.79 111.011 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -123.72 119.86 31.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 2.46 109.277 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -96.1 140.17 31.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 3.7000000000000002 110.97 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 348' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.82 119.32 2.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 3.7000000000000002 109.304 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 4.7 t0 57.23 -150.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 3.4399999999999999 109.36 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 350' ' ' ASP . . . . . 0.482 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 2.0 t0 -87.91 42.17 1.04 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 3.2200000000000002 109.294 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.482 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 34.8 mtmt -155.99 154.79 31.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 2.3300000000000001 109.253 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 352' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 366' ' ' LYS . 39.9 p90 -142.12 147.13 36.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 4.0300000000000002 110.995 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 353' ' ' TRP . . . . . 0.558 ' CZ3' ' HG3' ' A' ' 329' ' ' PRO . 3.3 m-90 -104.63 163.39 12.52 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.001 -1.111 . . . . 5.1500000000000004 108.001 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 354' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.68 103.96 8.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 3.6499999999999999 109.298 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . 0.539 ' N ' ' CD1' ' A' ' 355' ' ' ILE . 1.2 mp -72.88 122.86 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 2.54 109.28 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 42.2 t -132.62 118.76 19.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 2.0899999999999999 110.054 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 60.06 47.59 9.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.531 1.144 . . . . 4.2599999999999998 109.258 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 56.59 43.24 25.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 5.5800000000000001 109.317 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -162.73 120.19 1.28 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 6.6399999999999997 110.324 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 360' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 361' ' ' GLU . 18.3 Cg_endo -74.94 117.8 5.05 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.553 1.818 . . . . 1.99 111.031 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 361' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 360' ' ' PRO . 5.0 mm-40 -36.41 124.74 0.74 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 2.8500000000000001 110.298 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 136.5 20.59 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.57 1.826 . . . . 3.1600000000000001 111.0 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 363' ' ' ASN . . . . . 0.439 ' C ' ' HD3' ' A' ' 365' ' ' PRO . 3.1 t-20 63.45 61.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 3.6099999999999999 109.242 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 364' ' ' TYR . . . . . 0.525 ' N ' ' HD3' ' A' ' 365' ' ' PRO . 0.2 OUTLIER -132.34 57.9 32.71 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 3.73 111.049 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 365' ' ' PRO . . . . . 0.525 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.4 Cg_endo -74.94 53.06 3.2 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.599 1.841 . . . . 1.4199999999999999 110.986 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 366' ' ' LYS . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 352' ' ' TYR . 0.0 OUTLIER -65.83 160.85 22.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 4.1699999999999999 109.333 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 29.3 t -135.5 130.92 35.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 3.25 110.0 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 368' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 370' ' ' SER . 3.2 pt -41.87 -42.82 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 2.6299999999999999 109.245 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 369' ' ' HIS . . . . . 0.4 ' C ' ' N ' ' A' ' 371' ' ' PHE . 23.7 t60 -40.25 -29.82 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 4.9500000000000002 109.608 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 370' ' ' SER . . . . . 0.56 ' O ' ' CG ' ' A' ' 371' ' ' PHE . 50.6 m -47.85 -23.36 0.73 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.443 1.09 . . . . 3.3700000000000001 109.995 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 371' ' ' PHE . . . . . 0.56 ' CG ' ' O ' ' A' ' 370' ' ' SER . 0.3 OUTLIER 164.68 71.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 8.0899999999999999 110.979 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 372' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 374' ' ' PRO . . . -174.35 -66.26 0.05 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.533 1.146 . . . . 3.1499999999999999 110.977 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 373' ' ' PHE . . . . . 0.571 ' CZ ' ' HA ' ' A' ' 376' ' ' PHE . 59.8 t80 -34.23 96.3 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.423 0.72 . . . . 6.8899999999999997 111.03 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 374' ' ' PRO . . . . . 0.545 ' HG2' ' CH2' ' A' ' 401' ' ' TRP . 18.2 Cg_endo -75.06 -76.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.506 1.793 . . . . 2.29 110.964 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -96.8 -78.8 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 5.6500000000000004 109.278 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 376' ' ' PHE . . . . . 0.571 ' HA ' ' CZ ' ' A' ' 373' ' ' PHE . 14.2 m-85 -144.7 58.33 1.31 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 7.79 110.996 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 377' ' ' VAL . . . . . 0.46 HG22 ' CZ3' ' A' ' 401' ' ' TRP . 0.8 OUTLIER -88.96 162.28 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 3.2400000000000002 109.298 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.75 -38.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.601 1.188 . . . . 4.3899999999999997 109.325 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -118.08 116.01 26.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 3.29 109.26 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 380' ' ' ILE . . . . . 0.443 ' CG2' ' N ' ' A' ' 381' ' ' ASP . 83.0 mt -101.76 163.01 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 2.7599999999999998 109.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 381' ' ' ASP . . . . . 0.443 ' N ' ' CG2' ' A' ' 380' ' ' ILE . 0.7 OUTLIER -92.45 -51.81 4.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 1.8600000000000001 109.254 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -159.85 168.09 26.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.62 1.2 . . . . 1.5600000000000001 109.263 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -156.92 130.32 8.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 1.8899999999999999 109.295 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 4.0 p -136.29 158.89 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 3.27 109.31 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 385' ' ' PHE . . . . . 0.457 ' C ' ' CD1' ' A' ' 385' ' ' PHE . 2.1 t80 -118.67 127.92 54.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 2.6499999999999999 110.968 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 386' ' ' ASN . . . . . 0.44 ' HB3' ' CB ' ' A' ' 389' ' ' PHE . 0.2 OUTLIER -91.63 122.63 65.39 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 2.98 109.269 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -30.21 7.39 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.503 1.791 . . . . 1.6599999999999999 111.018 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 1.8 tpt85 -91.7 28.36 1.79 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 3.6600000000000001 110.28 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 389' ' ' PHE . . . . . 0.557 ' C ' ' CG ' ' A' ' 390' ' ' TYR . 0.8 OUTLIER -151.3 -38.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 4.7199999999999998 111.026 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 390' ' ' TYR . . . . . 0.557 ' CG ' ' C ' ' A' ' 389' ' ' PHE . 4.4 m-85 74.08 31.93 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 3.6600000000000001 110.972 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 391' ' ' ARG . . . . . 0.41 ' HD2' ' CD ' ' A' ' 402' ' ' ARG . 18.1 mtt180 -136.88 146.75 45.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 3.8199999999999998 110.327 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 27.1 m -117.99 126.7 52.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 1.74 110.397 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . 0.458 ' C ' ' CD1' ' A' ' 394' ' ' PHE . 1.0 OUTLIER -119.96 157.14 29.43 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.533 1.145 . . . . 3.7999999999999998 110.963 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 394' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 393' ' ' TYR . 1.0 OUTLIER -134.19 170.01 16.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 3.6499999999999999 111.01 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -120.01 129.71 54.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 2.6200000000000001 111.03 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 396' ' ' VAL . . . . . 0.418 ' O ' ' CB ' ' A' ' 397' ' ' ASP . 10.2 t -114.62 74.2 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 2.98 109.318 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 397' ' ' ASP . . . . . 0.418 ' CB ' ' O ' ' A' ' 396' ' ' VAL . 0.8 OUTLIER 75.96 -65.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 4.9900000000000002 109.289 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -151.43 50.78 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 4.4199999999999999 109.331 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -140.5 148.47 41.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 2.75 110.339 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 400' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 400' ' ' TYR . 1.1 t80 -119.3 101.36 7.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 3.8399999999999999 111.014 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 401' ' ' TRP . . . . . 0.545 ' CH2' ' HG2' ' A' ' 374' ' ' PRO . 46.8 m0 -98.64 164.67 12.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 5.7800000000000002 108.025 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 402' ' ' ARG . . . . . 0.41 ' CD ' ' HD2' ' A' ' 391' ' ' ARG . 0.0 OUTLIER -153.59 111.83 3.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 3.9399999999999999 110.253 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 403' ' ' TYR . . . . . 0.479 ' CD2' ' HB3' ' A' ' 410' ' ' MET . 4.4 t80 -100.19 121.28 41.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 5.7300000000000004 110.977 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.78 124.97 24.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 2.1400000000000001 109.304 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -89.24 -47.42 8.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 3.0800000000000001 110.334 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -55.0 35.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 6.8700000000000001 110.264 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 407' ' ' ARG . . . . . 0.451 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.0 OUTLIER -67.7 -41.92 82.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 3.5299999999999998 110.26 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . 0.451 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 0.0 OUTLIER 83.09 29.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 3.2000000000000002 110.297 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 3.1 tpt -135.95 109.03 7.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 2.8799999999999999 111.034 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 410' ' ' MET . . . . . 0.479 ' HB3' ' CD2' ' A' ' 403' ' ' TYR . 0.0 OUTLIER -64.21 146.04 54.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 2.7000000000000002 111.012 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.64 160.55 72.21 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 2.5800000000000001 109.28 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 85.62 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.544 1.812 . . . . 3.2999999999999998 110.923 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 72.47 -73.13 0.95 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.448 1.092 . . . . 4.8399999999999999 111.049 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 414' ' ' TYR . . . . . 0.532 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 2.7 t80 61.16 63.45 2.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 2.3500000000000001 110.994 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 415' ' ' PRO . . . . . 0.409 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.5 Cg_endo -74.94 66.84 5.96 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.529 1.805 . . . . 1.8200000000000001 111.067 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . 0.532 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 24.9 mmtt -86.22 -176.35 5.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 2.9399999999999999 109.309 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.76 136.23 52.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 3.98 109.266 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 418' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 420' ' ' LYS . 3.8 mt -69.49 -71.35 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 2.4399999999999999 109.294 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 419' ' ' THR . . . . . 0.422 ' HB ' ' N ' ' A' ' 427' ' ' PRO . 15.0 t -38.07 -29.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.9099999999999999 110.395 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 418' ' ' ILE . 26.1 mttt -69.22 -69.47 0.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 2.4700000000000002 109.263 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -48.29 -51.0 27.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 3.02 109.239 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 422' ' ' PHE . . . . . 0.486 ' CE2' ' CD1' ' A' ' 451' ' ' TYR . 2.6 m-85 -119.16 102.54 8.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.45 1.094 . . . . 4.5999999999999996 110.982 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -89.92 112.92 24.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 2.73 110.34 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 150.49 -31.06 1.04 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.574 1.172 . . . . 1.3899999999999999 110.958 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 425' ' ' ILE . . . . . 0.436 ' CG1' ' N ' ' A' ' 426' ' ' GLY . 8.4 pt -82.64 -55.57 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 2.96 109.241 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 426' ' ' GLY . . . . . 0.436 ' N ' ' CG1' ' A' ' 425' ' ' ILE . . . 132.37 167.46 11.8 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.548 1.155 . . . . 1.1299999999999999 111.0 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . 0.422 ' N ' ' HB ' ' A' ' 419' ' ' THR . 18.2 Cg_endo -74.98 -16.65 20.14 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.454 1.765 . . . . 1.3799999999999999 110.977 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.53 131.15 53.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 5.8899999999999997 109.286 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 1.9 mp -130.86 125.39 58.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 3.96 109.307 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.65 -86.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 2.0600000000000001 109.297 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -106.97 150.64 26.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 1.6899999999999999 109.333 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.672 ' CG2' ' CE1' ' A' ' 442' ' ' PHE . 4.1 p -146.99 126.33 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 2.9500000000000002 109.357 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 433' ' ' PHE . . . . . 0.461 ' N ' ' CD1' ' A' ' 433' ' ' PHE . 5.8 p90 -147.71 146.53 29.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 4.8300000000000001 110.971 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.27 92.01 7.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 4.7400000000000002 110.966 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 94.2 p -123.19 91.3 3.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 3.0600000000000001 110.009 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 436' ' ' LYS . . . . . 0.408 ' CB ' ' HB2' ' A' ' 439' ' ' TYR . 0.0 OUTLIER 174.62 -160.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 4.7400000000000002 109.363 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -103.95 -30.88 10.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 4.71 109.243 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.21 49.3 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 4.0300000000000002 109.346 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 439' ' ' TYR . . . . . 0.476 ' CD1' ' OE2' ' A' ' 450' ' ' GLU . 68.7 m-85 -138.74 173.88 11.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 3.8799999999999999 110.971 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -134.77 112.87 11.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 4.5700000000000003 111.013 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 441' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -84.89 110.99 19.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 4.1399999999999997 111.014 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . 0.672 ' CE1' ' CG2' ' A' ' 432' ' ' VAL . 5.9 m-85 -121.33 146.92 46.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.608 1.193 . . . . 4.1600000000000001 111.009 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 443' ' ' PHE . . . . . 0.584 ' C ' ' CD1' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -153.61 147.91 25.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 6.1500000000000004 111.01 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -158.93 102.62 1.66 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.475 1.109 . . . . 4.46 110.265 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 109.12 -91.56 0.66 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.159 . . . . 1.8 110.939 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 17.7 t -151.57 33.08 0.56 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 0.783 . . . . 2.6400000000000001 110.019 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -137.02 134.59 36.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 2.1699999999999999 109.297 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.91 88.12 2.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 3.4199999999999999 110.295 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -87.87 143.62 27.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 3.2799999999999998 111.005 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . 0.48 ' O ' ' CG2' ' A' ' 458' ' ' ILE . 1.7 tt0 -121.31 134.17 55.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.374 1.046 . . . . 2.8999999999999999 110.306 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 451' ' ' TYR . . . . . 0.486 ' CD1' ' CE2' ' A' ' 422' ' ' PHE . 1.5 t80 -105.69 143.75 33.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.581 1.175 . . . . 3.9500000000000002 111.015 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -125.75 111.27 14.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 2.8300000000000001 109.303 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . 0.409 ' O ' ' CD1' ' A' ' 453' ' ' PHE . 19.3 t80 -59.59 -15.69 20.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.411 1.069 . . . . 4.4900000000000002 110.989 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 20.1 tp -42.57 -42.09 3.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 3.27 109.225 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -163.51 29.97 0.09 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 2.7799999999999998 109.357 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 47.77 57.02 6.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 3.6899999999999999 110.322 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.62 135.44 44.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.564 1.165 . . . . 4.9400000000000004 110.273 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 458' ' ' ILE . . . . . 0.48 ' CG2' ' O ' ' A' ' 450' ' ' GLU . 24.1 mt -100.13 114.38 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 2.52 109.317 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 10.2 t -115.65 38.25 3.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 3.46 110.436 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -152.59 109.67 3.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.404 1.065 . . . . 4.7599999999999998 109.353 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 24.2 m -126.04 85.61 2.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 3.3500000000000001 110.396 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 462' ' ' LEU . . . . . 0.416 ' CD1' ' HB3' ' A' ' 466' ' ' SER . 0.9 OUTLIER -125.91 178.12 5.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 2.71 109.333 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.0 173.78 6.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 4.8799999999999999 109.322 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -32.19 73.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.9199999999999999 110.024 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -104.07 57.42 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 2.8799999999999999 109.304 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 466' ' ' SER . . . . . 0.416 ' HB3' ' CD1' ' A' ' 462' ' ' LEU . 0.1 OUTLIER -116.55 -9.77 11.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.105 . . . . 3.8900000000000001 110.001 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 17.2 m95 -103.31 -44.86 5.05 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.495 1.122 . . . . 4.9199999999999999 108.04 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 468' ' ' PHE . . . . . 0.56 ' CE2' HD13 ' A' ' 281' ' ' LEU . 3.0 t80 -48.82 -47.35 42.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 8.3300000000000001 111.015 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 120.95 55.53 0.23 Allowed Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.458 1.099 . . . . 2.6800000000000002 111.064 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 470' ' ' CYS . . . . . 1.283 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 N-CA-C 108.332 -0.988 . . . . 3.8399999999999999 108.332 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 281' ' ' LEU . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 468' ' ' PHE . 70.2 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.299 -0.63 . . . . 3.8199999999999998 109.299 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 282' ' ' CYS . . . . . 1.288 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 3.1 t -79.46 57.64 2.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 3.6499999999999999 108.289 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 283' ' ' ASP . . . . . 0.404 ' HB3' ' ND2' ' A' ' 285' ' ' ASN . 9.0 t0 -176.21 109.33 0.25 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 3.4700000000000002 109.33 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 78.09 2.98 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.482 1.78 . . . . 2.3399999999999999 111.015 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 285' ' ' ASN . . . . . 0.404 ' ND2' ' HB3' ' A' ' 283' ' ' ASP . 1.2 p30 -146.21 36.21 1.01 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 3.1600000000000001 109.25 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 286' ' ' LEU . . . . . 0.571 HD21 ' CZ2' ' A' ' 307' ' ' TRP . 0.2 OUTLIER -113.51 175.03 5.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 4.5499999999999998 109.315 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 61.8 p -144.62 169.31 18.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 1.95 109.984 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -129.17 152.47 48.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 2.7799999999999998 110.981 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.35 -52.55 4.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 2.5099999999999998 109.283 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 290' ' ' ALA . . . . . 0.414 ' HA ' ' CB ' ' A' ' 431' ' ' ALA . . . -157.43 157.6 34.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 2.4700000000000002 109.323 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 291' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 292' ' ' THR . 93.3 t -136.95 143.64 34.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 3.3700000000000001 109.329 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 292' ' ' THR . . . . . 0.4 ' N ' HG12 ' A' ' 291' ' ' VAL . 12.0 t -145.11 154.32 42.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 2.1400000000000001 110.405 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 4.7 t -111.0 146.74 36.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 3.2200000000000002 110.42 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 90.9 t -139.41 72.41 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 2.8999999999999999 109.302 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 98.0 -112.14 4.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 1.73 110.972 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -113.68 15.43 18.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.757 . . . . 3.1899999999999999 109.279 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -121.57 152.54 39.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 4.4900000000000002 109.298 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 10.6 pt -129.83 125.59 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 2.71 109.287 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 299' ' ' PHE . . . . . 0.461 ' CG ' HD23 ' A' ' 308' ' ' LEU . 7.0 m-85 -106.47 148.75 27.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 4.2999999999999998 111.026 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 300' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -125.86 97.03 4.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 4.1799999999999997 111.028 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 301' ' ' PHE . . . . . 0.56 ' CE1' HG12 ' A' ' 321' ' ' ILE . 24.3 m-85 -84.18 156.6 21.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 4.2699999999999996 111.035 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 302' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 305' ' ' PHE . 0.0 OUTLIER -161.6 70.33 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 4.3700000000000001 109.264 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 3.5 t70 49.14 83.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 3.5899999999999999 109.297 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 304' ' ' ARG . . . . . 0.424 ' HB3' ' CD1' ' A' ' 320' ' ' LEU . 2.8 mmt85 76.06 -54.23 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 7.4800000000000004 110.317 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 305' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 302' ' ' LYS . 38.2 m-85 -79.94 120.33 24.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 5.8600000000000003 110.989 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 306' ' ' PHE . . . . . 0.534 ' CZ ' ' HB2' ' A' ' 319' ' ' ASN . 5.4 p90 -133.94 144.84 49.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 2.3900000000000001 110.986 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 307' ' ' TRP . . . . . 0.571 ' CZ2' HD21 ' A' ' 286' ' ' LEU . 16.9 m-90 -101.21 157.42 16.79 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.005 -1.109 . . . . 5.6900000000000004 108.005 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . 0.461 HD23 ' CG ' ' A' ' 299' ' ' PHE . 0.3 OUTLIER -141.51 129.37 21.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 3.3599999999999999 109.248 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -165.01 98.26 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 2.8700000000000001 109.254 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 310' ' ' VAL . . . . . . . . . . . . . 8.2 p -173.31 167.59 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 2.9700000000000002 109.332 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 33.0 t 67.2 -75.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 4.9100000000000001 109.975 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -165.52 77.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 5.4900000000000002 110.319 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.94 134.33 21.8 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 4.25 110.327 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -35.87 2.92 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.461 1.769 . . . . 3.4399999999999999 111.011 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.23 167.54 28.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 4.25 109.305 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 15.5 p -87.31 134.38 33.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 2.4100000000000001 110.365 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 2.3 m -126.7 146.94 50.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 4.0199999999999996 109.983 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 10.4 m -100.94 119.9 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 4.0999999999999996 109.311 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 319' ' ' ASN . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 306' ' ' PHE . 1.8 m120 -132.86 179.79 5.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 2.1699999999999999 109.327 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . 0.424 ' CD1' ' HB3' ' A' ' 304' ' ' ARG . 12.1 tp -106.37 132.71 52.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 3.9100000000000001 109.296 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 321' ' ' ILE . . . . . 0.56 HG12 ' CE1' ' A' ' 301' ' ' PHE . 3.6 mt -62.53 -63.31 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 3.3100000000000001 109.296 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 322' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 321' ' ' ILE . 3.3 t -37.61 -33.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 3.0499999999999998 110.045 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 323' ' ' SER . . . . . 0.413 ' N ' ' C ' ' A' ' 321' ' ' ILE . 8.4 t -43.74 -27.46 0.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 2.75 109.995 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 2.8 mp -115.12 -63.21 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 2.77 109.283 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 325' ' ' TRP . . . . . 0.475 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 0.5 OUTLIER -65.36 144.21 98.93 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 2.5499999999999998 107.999 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -90.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.481 1.779 . . . . 1.6599999999999999 110.975 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 327' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 327' ' ' THR . 12.0 t -85.02 86.56 7.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 3.3700000000000001 110.441 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 328' ' ' LEU . . . . . 0.475 ' CD2' ' HB3' ' A' ' 325' ' ' TRP . 4.2 mm? -134.8 155.91 78.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 2.46 109.272 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 329' ' ' PRO . . . . . 0.417 ' O ' ' CB ' ' A' ' 330' ' ' SER . 18.4 Cg_endo -74.99 -36.17 2.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.553 1.817 . . . . 2.5600000000000001 111.03 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 330' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 329' ' ' PRO . 3.2 m 80.76 -0.05 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 5.0300000000000002 109.973 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -116.12 -42.57 0.7 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.546 1.154 . . . . 3.9199999999999999 110.988 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.456 ' CG2' ' HB3' ' A' ' 335' ' ' ALA . 4.1 mp 42.43 89.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 3.1400000000000001 109.258 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -79.52 -13.89 59.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 3.0099999999999998 110.326 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -168.97 115.84 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 1.5900000000000001 109.322 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . 0.456 ' HB3' ' CG2' ' A' ' 332' ' ' ILE . . . -129.96 155.59 45.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 2.46 109.336 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 336' ' ' TYR . . . . . 0.629 ' CE1' ' CB ' ' A' ' 345' ' ' PHE . 22.5 p90 -155.34 114.81 3.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 3.8799999999999999 110.991 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -98.02 142.77 29.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 3.98 110.276 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 338' ' ' ILE . . . . . 0.467 HD11 ' CD2' ' A' ' 336' ' ' TYR . 1.4 mp -128.29 130.08 69.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 4.9400000000000004 109.318 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.57 -54.8 14.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 3.5800000000000001 110.26 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -49.5 -58.79 4.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 3.4900000000000002 109.323 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -59.37 -32.81 70.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 4.7699999999999996 110.281 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 342' ' ' ASN . . . . . 0.408 ' C ' ' HG2' ' A' ' 343' ' ' GLN . 9.2 t30 59.8 35.15 22.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 3.3599999999999999 109.321 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . 0.408 ' HG2' ' C ' ' A' ' 342' ' ' ASN . 0.1 OUTLIER -134.97 139.92 45.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 3.1899999999999999 110.338 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 344' ' ' VAL . . . . . . . . . . . . . 10.6 t -100.65 139.56 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 2.9300000000000002 109.316 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 345' ' ' PHE . . . . . 0.629 ' CB ' ' CE1' ' A' ' 336' ' ' TYR . 84.3 m-85 -121.44 130.14 53.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 5.0099999999999998 110.988 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . 0.429 ' CD2' ' N ' ' A' ' 346' ' ' LEU . 1.5 mm? -128.45 105.96 8.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 3.0800000000000001 109.351 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 347' ' ' PHE . . . . . 0.405 ' CE2' ' HE1' ' A' ' 336' ' ' TYR . 17.1 m-85 -99.43 158.44 15.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 4.4100000000000001 110.989 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 348' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -178.53 143.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 4.79 109.264 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 51.25 -154.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 4.9699999999999998 109.295 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 350' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -91.62 41.84 1.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 3.8900000000000001 109.322 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -148.67 148.2 29.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 2.98 109.308 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 352' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -110.52 164.0 13.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 7.0199999999999996 110.986 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -155.97 125.75 6.42 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.042 -1.096 . . . . 7.7699999999999996 108.042 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 354' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -113.57 165.95 12.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 2.8999999999999999 109.336 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 1.5 mp -129.52 118.8 46.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 3.25 109.316 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 16.6 t -124.63 132.25 53.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 2.98 109.975 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 357' ' ' ASN . . . . . 0.451 ' O ' ' CD2' ' A' ' 358' ' ' LEU . 43.6 m-20 58.79 48.09 11.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 4.9299999999999997 109.309 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 358' ' ' LEU . . . . . 0.451 ' CD2' ' O ' ' A' ' 357' ' ' ASN . 0.6 OUTLIER 50.91 40.19 24.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 5.1100000000000003 109.315 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -164.53 128.75 1.83 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 5.2000000000000002 110.287 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 360' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 169.79 21.83 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.509 1.794 . . . . 1.96 111.003 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.53 167.07 33.45 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 3.04 110.342 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -39.31 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.512 1.796 . . . . 3.2400000000000002 110.972 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 363' ' ' ASN . . . . . 0.422 ' C ' ' HD3' ' A' ' 365' ' ' PRO . 6.2 m-20 -159.19 112.72 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 3.8399999999999999 109.285 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 364' ' ' TYR . . . . . 0.532 ' CD2' ' HD3' ' A' ' 366' ' ' LYS . 0.3 OUTLIER -132.95 58.16 33.44 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 4.4699999999999998 111.008 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 365' ' ' PRO . . . . . 0.512 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.4 Cg_endo -75.01 62.94 5.96 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.48 1.779 . . . . 1.3200000000000001 110.977 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 366' ' ' LYS . . . . . 0.532 ' HD3' ' CD2' ' A' ' 364' ' ' TYR . 0.1 OUTLIER -65.72 163.1 17.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 3.1099999999999999 109.316 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.92 127.25 52.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 2.5299999999999998 109.973 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 368' ' ' ILE . . . . . 0.439 ' CD1' HG13 ' A' ' 377' ' ' VAL . 13.7 pt -65.09 -38.34 82.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 4.8499999999999996 109.282 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -63.86 -34.22 77.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 5.3399999999999999 109.604 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 1.5 m -70.05 -8.9 53.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 3.9100000000000001 110.008 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.97 2.57 53.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 7.6100000000000003 111.01 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . 129.14 -26.58 4.41 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.486 1.116 . . . . 4.6399999999999997 111.006 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 373' ' ' PHE . . . . . . . . . . . . . 27.9 t80 52.1 92.71 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.509 0.77 . . . . 6.2599999999999998 110.99 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 374' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -162.76 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.789 . . . . 3.3799999999999999 111.053 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -42.38 -57.92 2.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 6.8499999999999996 109.308 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -161.64 102.83 1.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 7.1399999999999997 110.94 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 377' ' ' VAL . . . . . 0.439 HG13 ' CD1' ' A' ' 368' ' ' ILE . 9.1 p -108.84 152.41 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 3.9100000000000001 109.33 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.86 -37.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 4.9800000000000004 109.292 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.74 132.99 26.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 2.6600000000000001 109.256 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 5.0 mt -98.84 146.49 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 2.2000000000000002 109.302 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.53 -51.08 9.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 2.0699999999999998 109.286 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 382' ' ' ALA . . . . . 0.449 ' CB ' HG11 ' A' ' 432' ' ' VAL . . . -164.37 176.72 8.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 2.0299999999999998 109.267 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -164.17 130.54 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 1.8100000000000001 109.305 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 9.7 p -141.17 159.45 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 3.2200000000000002 109.325 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 385' ' ' PHE . . . . . 0.415 ' CG ' ' N ' ' A' ' 386' ' ' ASN . 81.6 t80 -100.28 165.48 11.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 2.48 110.973 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 386' ' ' ASN . . . . . 0.415 ' N ' ' CG ' ' A' ' 385' ' ' PHE . 9.6 t-20 -141.01 105.67 6.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 3.0699999999999998 109.304 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -13.63 21.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.514 1.797 . . . . 1.78 110.971 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.33 -48.39 28.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 2.4700000000000002 110.34 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.89 6.26 27.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 5.1900000000000004 111.016 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 51.73 34.79 13.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 3.0800000000000001 110.999 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -124.22 161.36 25.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 3.71 110.274 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 15.1 m -116.46 130.81 56.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 1.8 110.43 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 20.0 m-30 -85.82 142.89 28.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 3.7200000000000002 111.002 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.2 115.39 11.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 4.5899999999999999 110.992 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 395' ' ' PHE . . . . . 0.573 ' CD2' HG23 ' A' ' 429' ' ' ILE . 47.4 m-85 -94.59 120.13 34.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 1.8 111.02 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.24 124.74 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 3.8599999999999999 109.274 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 51.69 -154.94 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 3.8700000000000001 109.326 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -84.72 49.91 1.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 3.2799999999999998 109.31 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.21 169.38 19.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 2.8900000000000001 110.317 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -126.57 120.31 29.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 4.3499999999999996 111.0 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 3.9 m95 -115.2 163.42 15.68 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.98 -1.119 . . . . 6.79 107.98 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -152.1 118.34 5.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 3.5600000000000001 110.317 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -95.83 163.29 13.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 5.2400000000000002 110.998 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.4 123.87 48.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 2.9700000000000002 109.29 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -83.04 -50.81 8.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 3.0099999999999998 110.275 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -66.44 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 7.5 110.31 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -39.43 69.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 3.9500000000000002 110.337 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.52 36.45 0.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 2.9900000000000002 110.312 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.71 118.75 13.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 3.7599999999999998 111.008 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -59.88 125.15 22.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 4.2199999999999998 111.004 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.58 137.78 5.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 2.98 109.306 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 412' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 413' ' ' GLY . 18.3 Cg_endo -75.01 105.83 2.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.457 1.767 . . . . 2.9700000000000002 111.023 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 413' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 412' ' ' PRO . . . 50.59 103.4 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.528 1.143 . . . . 2.0699999999999998 111.016 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 414' ' ' TYR . . . . . 0.533 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 3.9 t80 -132.51 63.61 68.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.774 . . . . 3.1099999999999999 110.996 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 415' ' ' PRO . . . . . 0.401 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.5 Cg_endo -74.96 69.95 5.39 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.515 1.798 . . . . 1.7 111.003 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . 0.533 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 5.1 mmtt -89.23 -172.53 3.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 3.5499999999999998 109.309 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.1 mt -134.39 133.16 40.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 3.5600000000000001 109.307 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 2.5 mt -60.73 -66.97 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 2.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 419' ' ' THR . . . . . 0.411 ' HB ' ' N ' ' A' ' 427' ' ' PRO . 13.2 t -42.81 -36.09 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 2.1400000000000001 110.413 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 15.1 mttp -66.19 -65.99 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 3.0600000000000001 109.301 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . 0.588 ' O ' ' CD1' ' A' ' 422' ' ' PHE . 0.7 OUTLIER -47.61 -30.87 3.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 3.2799999999999998 109.26 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 422' ' ' PHE . . . . . 0.588 ' CD1' ' O ' ' A' ' 421' ' ' ASN . 28.1 m-85 -152.8 118.24 5.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 3.6699999999999999 111.03 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -94.07 100.36 12.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 2.9100000000000001 110.289 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 161.71 -33.69 0.36 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 1.77 111.006 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 425' ' ' ILE . . . . . 0.506 ' CD1' ' O ' ' A' ' 422' ' ' PHE . 0.2 OUTLIER -86.41 -19.51 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 3.27 109.27 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 89.49 174.52 46.02 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.485 1.115 . . . . 0.95999999999999996 111.006 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . 0.411 ' N ' ' HB ' ' A' ' 419' ' ' THR . 18.4 Cg_endo -74.99 -9.9 21.0 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.472 1.775 . . . . 1.3700000000000001 111.006 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -125.05 134.77 52.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 2.8399999999999999 109.323 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 429' ' ' ILE . . . . . 0.573 HG23 ' CD2' ' A' ' 395' ' ' PHE . 9.4 tp -125.13 152.02 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 2.6000000000000001 109.276 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 430' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 443' ' ' PHE . 2.8 t0 -105.14 -60.02 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 2.21 109.305 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 431' ' ' ALA . . . . . 0.414 ' CB ' ' HA ' ' A' ' 290' ' ' ALA . . . -141.15 153.53 45.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 1.9199999999999999 109.311 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.5 HG13 ' CE1' ' A' ' 395' ' ' PHE . 1.2 p -158.01 138.02 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 2.7999999999999998 109.259 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 433' ' ' PHE . . . . . 0.419 ' N ' ' CD1' ' A' ' 433' ' ' PHE . 3.8 p90 -147.57 167.71 23.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 4.2599999999999998 111.025 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 434' ' ' TYR . . . . . 0.472 ' CD1' ' O ' ' A' ' 439' ' ' TYR . 25.7 t80 -129.31 84.27 2.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 4.9100000000000001 111.0 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.24 -5.38 15.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 2.4100000000000001 109.989 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 436' ' ' LYS . . . . . 0.484 ' HG3' ' CE1' ' A' ' 441' ' ' TYR . 17.3 mmmt -74.05 -167.32 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 4.3300000000000001 109.346 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -97.34 -36.51 10.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 4.4699999999999998 109.29 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -159.98 46.48 0.25 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 5.1299999999999999 109.345 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 439' ' ' TYR . . . . . 0.539 ' CD1' ' OE2' ' A' ' 450' ' ' GLU . 87.8 m-85 -146.9 160.52 42.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 3.3300000000000001 110.964 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -126.97 116.02 20.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 4.2300000000000004 111.008 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 441' ' ' TYR . . . . . 0.513 ' CE1' ' HG3' ' A' ' 450' ' ' GLU . 3.3 m-85 -90.49 158.58 16.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 3.5699999999999998 111.03 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . 0.41 ' CD2' ' HB ' ' A' ' 432' ' ' VAL . 96.0 m-85 -146.44 143.68 29.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 4.7199999999999998 111.008 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 443' ' ' PHE . . . . . 0.644 ' CE2' ' NE2' ' A' ' 448' ' ' GLN . 0.2 OUTLIER -117.78 118.4 31.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 5.1500000000000004 110.978 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.87 105.01 4.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 7.54 110.307 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 83.13 -89.41 1.52 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 1.72 110.993 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.8 38.02 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 3.0 109.976 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 447' ' ' ASN . . . . . 0.521 ' OD1' ' CD2' ' A' ' 449' ' ' PHE . 16.6 p30 -143.65 133.94 24.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 3.77 109.311 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 448' ' ' GLN . . . . . 0.644 ' NE2' ' CE2' ' A' ' 443' ' ' PHE . 2.1 mt-30 -100.37 113.11 25.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 3.6299999999999999 110.311 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 449' ' ' PHE . . . . . 0.521 ' CD2' ' OD1' ' A' ' 447' ' ' ASN . 20.2 m-85 -104.41 133.33 49.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 3.6000000000000001 110.992 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . 0.539 ' OE2' ' CD1' ' A' ' 439' ' ' TYR . 2.4 tt0 -116.23 130.62 56.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 3.0099999999999998 110.305 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -100.41 113.2 25.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 5.9100000000000001 111.015 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.06 102.74 14.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 4.0899999999999999 109.305 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . 0.418 ' C ' ' N ' ' A' ' 455' ' ' LEU . 19.7 t80 -61.08 -15.2 30.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 4.7599999999999998 110.988 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 60.5 tp -43.58 -27.48 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 3.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.418 ' N ' ' C ' ' A' ' 453' ' ' PHE . 1.0 OUTLIER -175.37 35.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 3.1400000000000001 109.31 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 456' ' ' GLN . . . . . 0.404 ' OE1' ' C ' ' A' ' 455' ' ' LEU . 3.7 mp0 44.12 52.12 7.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 3.8300000000000001 110.318 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -125.89 121.32 32.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 4.2300000000000004 110.28 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 5.0 mt -95.2 113.87 30.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 3.8599999999999999 109.302 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 1.8 t -136.72 60.69 1.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 3.2400000000000002 110.381 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 460' ' ' LYS . . . . . 0.404 ' CB ' ' HB3' ' A' ' 450' ' ' GLU . 0.0 OUTLIER -160.13 112.24 2.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 4.0 109.265 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 11.3 p -133.68 81.74 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 2.6499999999999999 110.393 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 462' ' ' LEU . . . . . 0.517 ' CD2' ' CZ2' ' A' ' 467' ' ' TRP . 23.5 tp -88.23 158.01 18.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 3.8300000000000001 109.296 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 463' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 464' ' ' SER . 0.4 OUTLIER -93.98 134.52 36.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 4.2000000000000002 109.315 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 464' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 463' ' ' LYS . 4.8 t -37.95 -41.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.152 . . . . 1.9299999999999999 110.016 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 26.8 p30 -112.19 72.2 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 2.8999999999999999 109.33 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 466' ' ' SER . . . . . 0.515 ' CB ' ' CD1' ' A' ' 462' ' ' LEU . 67.5 p -109.85 -14.25 14.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 3.6800000000000002 110.051 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 467' ' ' TRP . . . . . 0.517 ' CZ2' ' CD2' ' A' ' 462' ' ' LEU . 3.5 m-90 -103.91 -53.03 2.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 8.7200000000000006 108.015 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 468' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 281' ' ' LEU . 9.0 t80 -39.98 -47.54 2.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 8.6799999999999997 110.994 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 119.15 54.96 0.27 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 2.8500000000000001 111.005 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 470' ' ' CYS . . . . . 1.288 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 N-CA-C 108.29 -1.004 . . . . 3.2999999999999998 108.29 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 281' ' ' LEU . . . . . . . . . . . . . 63.1 mt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.321 -0.622 . . . . 4.7000000000000002 109.321 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 282' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -177.8 40.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 3.1400000000000001 108.295 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -174.2 127.06 0.44 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.097 . . . . 3.4700000000000002 109.292 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 73.77 4.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.512 1.796 . . . . 2.5600000000000001 110.982 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -136.1 21.86 3.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 3.1499999999999999 109.278 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.44 157.59 16.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 3.5899999999999999 109.3 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 83.2 p -136.91 153.34 50.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 2.6600000000000001 110.014 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -117.07 164.29 14.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.093 . . . . 2.9399999999999999 110.98 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.5 -62.55 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 2.9900000000000002 109.264 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -152.19 145.91 25.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 2.3999999999999999 109.328 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 291' ' ' VAL . . . . . . . . . . . . . 55.5 t -128.48 145.85 34.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 3.5899999999999999 109.305 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 11.6 t -140.06 166.14 25.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 2.3799999999999999 110.404 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 293' ' ' THR . . . . . 0.449 ' CB ' ' HB2' ' A' ' 435' ' ' SER . 4.4 t -121.64 129.53 52.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 3.1699999999999999 110.411 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 3.5 t -149.82 97.11 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 3.4300000000000002 109.289 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 76.13 43.69 20.53 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 3.3700000000000001 110.968 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 296' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 296' ' ' ASN . 30.5 t30 61.95 25.73 15.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 0.767 . . . . 4.8499999999999996 109.286 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . 0.439 ' HA ' ' CG2' ' A' ' 310' ' ' VAL . 9.8 mtmt -112.45 131.83 55.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 3.98 109.301 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 3.3 pt -107.07 110.91 33.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 3.21 109.286 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 299' ' ' PHE . . . . . 0.573 ' HB3' ' CE1' ' A' ' 301' ' ' PHE . 48.5 m-85 -101.24 117.23 34.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 4.25 111.008 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 300' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -99.89 93.45 5.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 4.4699999999999998 110.994 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 301' ' ' PHE . . . . . 0.573 ' CE1' ' HB3' ' A' ' 299' ' ' PHE . 19.8 m-85 -83.86 161.52 20.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 4.5300000000000002 111.04 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 302' ' ' LYS . . . . . 0.469 ' O ' ' O ' ' A' ' 305' ' ' PHE . 0.0 OUTLIER -174.85 145.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 4.5700000000000003 109.303 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 303' ' ' ASP . . . . . 0.422 ' O ' ' HB2' ' A' ' 304' ' ' ARG . 0.5 OUTLIER -43.43 148.92 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 4.0300000000000002 109.261 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 304' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 303' ' ' ASP . 0.0 OUTLIER 71.89 -74.25 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 5.3899999999999997 110.27 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 305' ' ' PHE . . . . . 0.525 ' CE1' HD13 ' A' ' 320' ' ' LEU . 27.5 m-85 -135.08 169.81 16.86 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.462 1.101 . . . . 3.5299999999999998 110.95 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 306' ' ' PHE . . . . . 0.428 ' CD2' HG13 ' A' ' 321' ' ' ILE . 43.1 p90 -127.94 -179.01 4.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 2.23 110.936 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 307' ' ' TRP . . . . . . . . . . . . . 7.6 m-90 -128.87 150.54 50.3 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.939 -1.134 . . . . 5.4199999999999999 107.939 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . 0.424 HD22 ' CD2' ' A' ' 299' ' ' PHE . 0.2 OUTLIER -139.39 132.04 28.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 3.6400000000000001 109.302 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 309' ' ' LYS . . . . . 0.428 ' CD ' ' O ' ' A' ' 315' ' ' LYS . 15.4 tptt -156.63 90.18 1.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 2.9700000000000002 109.36 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 310' ' ' VAL . . . . . 0.439 ' CG2' ' HA ' ' A' ' 297' ' ' LYS . 8.7 p -175.34 176.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 3.1200000000000001 109.282 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 24.2 t 63.94 -98.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 5.3499999999999996 110.026 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -148.02 75.98 1.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.08 . . . . 4.7999999999999998 110.321 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 313' ' ' ARG . . . . . 0.405 ' NE ' ' H ' ' A' ' 313' ' ' ARG . 0.0 OUTLIER -111.31 157.19 39.72 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 11.27 110.356 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -53.27 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.777 . . . . 4.2800000000000002 110.977 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 315' ' ' LYS . . . . . 0.547 ' HG2' ' CE2' ' A' ' 468' ' ' PHE . 0.4 OUTLIER -140.57 -77.44 0.3 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 5.2000000000000002 109.266 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 316' ' ' THR . . . . . 0.481 ' CG2' ' O ' ' A' ' 315' ' ' LYS . 40.9 p -156.07 -179.31 8.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 2.1800000000000002 110.421 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.33 144.36 50.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 2.5 109.985 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 3.7 t -139.38 68.39 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.112 . . . . 3.0099999999999998 109.373 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -122.44 175.96 6.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.419 1.075 . . . . 2.8700000000000001 109.242 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . 0.525 HD13 ' CE1' ' A' ' 305' ' ' PHE . 0.5 OUTLIER -94.92 152.67 18.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 2.9500000000000002 109.314 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 321' ' ' ILE . . . . . 0.428 HG13 ' CD2' ' A' ' 306' ' ' PHE . 1.1 mp -65.27 -64.31 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 2.3700000000000001 109.329 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 322' ' ' SER . . . . . 0.443 ' HB2' ' CD2' ' A' ' 320' ' ' LEU . 69.7 m -43.67 -29.2 0.48 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 2.48 109.997 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 4.8 t -54.69 -40.5 69.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 2.0099999999999998 110.01 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.47 -83.09 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.085 . . . . 2.8500000000000001 109.34 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 1.5 m0 -50.15 152.28 3.04 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 107.964 -1.124 . . . . 2.0600000000000001 107.964 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -88.42 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.558 1.82 . . . . 1.1299999999999999 110.993 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 327' ' ' THR . . . . . 0.443 ' CG2' ' O ' ' A' ' 327' ' ' THR . 9.7 t -100.22 93.01 5.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 2.3500000000000001 110.394 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 328' ' ' LEU . . . . . 0.463 ' CD1' ' HD2' ' A' ' 329' ' ' PRO . 3.4 mm? -136.9 147.02 57.44 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 2.0099999999999998 109.344 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 329' ' ' PRO . . . . . 0.463 ' HD2' ' CD1' ' A' ' 328' ' ' LEU . 18.6 Cg_endo -74.87 157.66 43.18 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.515 1.798 . . . . 2.04 111.077 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.6 140.77 35.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 2.52 109.969 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . 0.422 ' CA ' ' HA ' ' A' ' 303' ' ' ASP . . . 72.27 57.46 5.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 1.45 110.944 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.412 ' CD1' ' HG2' ' A' ' 329' ' ' PRO . 50.1 mm -58.27 140.29 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 0.742 . . . . 3.2599999999999998 109.293 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -89.51 -51.67 5.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 3.4900000000000002 110.29 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 334' ' ' ALA . . . . . 0.537 ' HB2' ' CD2' ' A' ' 347' ' ' PHE . . . -129.82 164.4 24.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 1.98 109.289 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -154.81 133.66 12.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 1.96 109.298 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 336' ' ' TYR . . . . . 0.593 ' C ' ' CD1' ' A' ' 336' ' ' TYR . 0.1 OUTLIER -145.14 92.51 2.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 5.0800000000000001 111.004 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -87.16 164.42 16.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 6.0700000000000003 110.303 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 338' ' ' ILE . . . . . 0.494 ' CG2' ' O ' ' A' ' 338' ' ' ILE . 0.2 OUTLIER -154.13 111.42 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 5.7699999999999996 109.37 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -71.81 -38.08 70.28 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.522 1.139 . . . . 4.9900000000000002 110.262 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -43.38 -35.02 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 3.0499999999999998 109.354 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.38 -19.07 13.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 5.0099999999999998 110.361 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 68.01 44.94 1.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 4.75 109.25 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -114.47 171.23 7.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 2.4500000000000002 110.278 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 344' ' ' VAL . . . . . 0.463 ' CG1' HD21 ' A' ' 346' ' ' LEU . 24.9 t -138.81 106.57 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 2.98 109.352 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 345' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -103.99 130.35 51.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 5.2699999999999996 110.937 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . 0.463 HD21 ' CG1' ' A' ' 344' ' ' VAL . 3.2 mm? -119.51 163.14 17.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 2.48 109.283 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 347' ' ' PHE . . . . . 0.537 ' CD2' ' HB2' ' A' ' 334' ' ' ALA . 20.9 m-85 -137.34 137.81 39.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 3.1499999999999999 111.035 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 348' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.1 OUTLIER -166.2 125.41 1.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.414 1.071 . . . . 4.1500000000000004 109.298 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.4 t70 53.54 -151.84 0.32 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 3.02 109.341 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 350' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -89.37 41.92 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 4.7000000000000002 109.297 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 348' ' ' LYS . 5.3 mttp -155.19 154.17 31.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.605 1.191 . . . . 2.9399999999999999 109.3 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 352' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 352' ' ' TYR . 26.0 p90 -140.0 141.38 36.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 3.8500000000000001 111.028 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -101.99 156.56 17.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 7.8399999999999999 108.012 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 354' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -121.06 131.68 54.42 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 1.093 . . . . 3.8399999999999999 109.268 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 344' ' ' VAL . 3.9 mp -130.62 93.56 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 2.54 109.255 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 86.2 p -98.51 135.22 40.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 2.5099999999999998 110.023 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 357' ' ' ASN . . . . . 0.42 ' O ' ' CD2' ' A' ' 358' ' ' LEU . 8.6 m120 60.44 43.06 13.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.124 . . . . 3.5 109.263 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 358' ' ' LEU . . . . . 0.42 ' CD2' ' O ' ' A' ' 357' ' ' ASN . 0.3 OUTLIER 54.07 36.85 25.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 3.8399999999999999 109.292 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 10.3 mmm-85 -149.2 129.32 6.66 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 5.04 110.319 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 360' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 165.35 31.46 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.459 1.768 . . . . 1.6100000000000001 110.998 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 361' ' ' GLU . . . . . 0.603 ' OE2' ' CE1' ' A' ' 364' ' ' TYR . 0.7 OUTLIER -81.15 165.49 44.5 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 3.0600000000000001 110.255 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 362' ' ' PRO . . . . . 0.54 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.2 Cg_endo -75.02 56.03 4.14 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.457 1.767 . . . . 2.9700000000000002 110.972 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 363' ' ' ASN . . . . . 0.54 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 1.7 m-20 84.96 102.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 4.3799999999999999 109.221 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 364' ' ' TYR . . . . . 0.603 ' CE1' ' OE2' ' A' ' 361' ' ' GLU . 0.1 OUTLIER -127.77 65.97 69.35 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 3.3999999999999999 111.011 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 365' ' ' PRO . . . . . 0.424 ' HD3' ' C ' ' A' ' 363' ' ' ASN . 18.2 Cg_endo -75.05 56.97 4.45 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.484 1.781 . . . . 1.24 111.013 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 366' ' ' LYS . . . . . 0.562 ' HE3' ' CE1' ' A' ' 364' ' ' TYR . 0.8 OUTLIER -83.64 -179.49 7.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 3.0299999999999998 109.308 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 2.2 m -148.7 137.85 21.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 2.48 110.015 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 368' ' ' ILE . . . . . 0.408 HD12 ' CG2' ' A' ' 377' ' ' VAL . 27.5 pt -59.92 -17.8 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 2.8999999999999999 109.324 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 369' ' ' HIS . . . . . 0.472 ' CA ' ' HB2' ' A' ' 373' ' ' PHE . 0.1 OUTLIER -60.52 -35.19 75.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 3.79 109.628 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 18.3 t -64.19 -10.55 23.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 2.5600000000000001 110.014 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -96.12 33.47 1.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 6.8700000000000001 110.98 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . 112.09 -43.25 1.76 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 4.1200000000000001 110.975 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 373' ' ' PHE . . . . . 0.472 ' HB2' ' CA ' ' A' ' 369' ' ' HIS . 0.8 OUTLIER 54.71 95.67 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.535 0.785 . . . . 5.7999999999999998 111.046 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 374' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -163.94 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.56 1.821 . . . . 2.3900000000000001 110.994 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 32.5 p30 -116.3 51.22 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 5.8899999999999997 109.272 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 178.09 36.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 9.3699999999999992 110.96 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 377' ' ' VAL . . . . . 0.414 ' O ' ' CB ' ' A' ' 378' ' ' LYS . 2.2 p -117.75 157.44 19.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.526 1.141 . . . . 3.6099999999999999 109.307 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 378' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 377' ' ' VAL . 1.9 mtmt 169.86 -36.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 4.2199999999999998 109.309 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -149.97 127.58 11.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 2.4500000000000002 109.326 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 9.6 mt -92.71 143.56 11.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 1.95 109.244 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.76 -49.69 7.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 1.8200000000000001 109.368 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 382' ' ' ALA . . . . . 0.452 ' CB ' HG21 ' A' ' 432' ' ' VAL . . . -159.04 167.5 29.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 1.6799999999999999 109.286 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -149.06 120.58 7.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 1.6899999999999999 109.332 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . 0.406 HG22 ' N ' ' A' ' 385' ' ' PHE . 12.2 p -126.82 154.6 36.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 2.98 109.267 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 385' ' ' PHE . . . . . 0.406 ' N ' HG22 ' A' ' 384' ' ' VAL . 17.3 t80 -102.19 155.76 18.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 2.4199999999999999 110.98 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -141.96 96.24 6.7 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 3.1899999999999999 109.236 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -11.68 21.48 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.525 1.803 . . . . 2.1000000000000001 110.98 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -75.23 -24.98 57.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 3.2400000000000002 110.291 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.46 4.52 7.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 3.9900000000000002 110.983 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 54.09 31.15 13.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 3.27 111.013 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 391' ' ' ARG . . . . . 0.438 ' NH1' ' OD2' ' A' ' 411' ' ' ASP . 6.4 mtt180 -131.08 165.7 22.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 3.9500000000000002 110.266 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 50.9 m -125.92 132.84 52.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 1.78 110.342 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . 0.485 ' CE2' ' OH ' ' A' ' 400' ' ' TYR . 6.3 m-85 -80.19 140.81 36.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 2.6099999999999999 110.964 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -128.59 113.37 15.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.414 1.071 . . . . 3.5499999999999998 111.047 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 395' ' ' PHE . . . . . 0.527 ' CD2' HG23 ' A' ' 429' ' ' ILE . 23.2 m-85 -98.03 120.06 37.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 1.73 111.006 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 5.1 t -145.15 130.85 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 2.52 109.304 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 1.5 t0 50.49 -153.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 3.29 109.328 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -89.04 49.63 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.591 1.182 . . . . 4.1200000000000001 109.261 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -147.46 159.52 43.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 2.9300000000000002 110.282 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 400' ' ' TYR . . . . . 0.485 ' OH ' ' CE2' ' A' ' 393' ' ' TYR . 2.6 t80 -116.65 109.6 17.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 3.79 111.003 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 401' ' ' TRP . . . . . 0.478 ' CH2' ' HE1' ' A' ' 410' ' ' MET . 3.0 m95 -107.24 154.46 21.2 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 6.8700000000000001 108.044 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -148.43 125.3 11.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 3.23 110.288 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 403' ' ' TYR . . . . . 0.464 ' CD2' ' HB3' ' A' ' 410' ' ' MET . 5.8 m-85 -105.01 167.0 9.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.408 1.068 . . . . 7.8899999999999997 110.975 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.31 128.04 54.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 2.1499999999999999 109.327 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -87.03 -40.87 14.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 2.6400000000000001 110.291 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -64.88 0.79 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 6.2999999999999998 110.388 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -41.93 96.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 4.1699999999999999 110.29 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 77.46 40.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 3.2599999999999998 110.26 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.27 105.22 4.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 2.8999999999999999 110.994 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 410' ' ' MET . . . . . 0.478 ' HE1' ' CH2' ' A' ' 401' ' ' TRP . 0.2 OUTLIER -55.48 133.14 49.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 4.3300000000000001 110.945 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . 0.438 ' OD2' ' NH1' ' A' ' 391' ' ' ARG . 0.2 OUTLIER -51.13 139.87 23.39 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 2.6400000000000001 109.298 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 110.44 3.12 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.525 1.803 . . . . 2.8599999999999999 110.983 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 49.96 101.53 0.01 OUTLIER Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.464 1.102 . . . . 1.9399999999999999 110.952 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 414' ' ' TYR . . . . . 0.559 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 2.0 t80 -133.97 62.84 59.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.481 0.754 . . . . 2.5299999999999998 111.034 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 415' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.1 Cg_endo -75.08 66.64 6.08 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 1.47 110.992 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . 0.559 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 15.0 mmtt -84.83 -172.38 4.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 3.04 109.304 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.26 132.83 38.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 2.9100000000000001 109.266 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 418' ' ' ILE . . . . . 0.471 HG12 ' CD1' ' A' ' 395' ' ' PHE . 3.6 mp -60.64 -73.45 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 2.1600000000000001 109.284 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 419' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 418' ' ' ILE . 0.7 OUTLIER -38.64 -30.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 2.4900000000000002 110.383 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 418' ' ' ILE . 31.5 mttt -70.36 -58.45 3.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 2.79 109.286 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -59.95 -47.58 85.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 3.8999999999999999 109.281 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 422' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -122.24 101.39 7.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 3.8100000000000001 110.948 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -88.88 115.91 26.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 2.4399999999999999 110.276 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 140.15 -29.42 2.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 1.99 110.968 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 425' ' ' ILE . . . . . 0.414 HD12 ' CG2' ' A' ' 418' ' ' ILE . 20.2 pt -85.06 -48.57 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 3.4500000000000002 109.298 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 127.82 169.7 12.7 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.112 . . . . 1.21 111.079 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -16.08 20.47 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.498 1.789 . . . . 1.45 111.056 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.4 134.87 54.7 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 3.4500000000000002 109.305 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 429' ' ' ILE . . . . . 0.527 HG23 ' CD2' ' A' ' 395' ' ' PHE . 5.7 tp -115.41 148.0 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 2.6699999999999999 109.267 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 430' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 443' ' ' PHE . 7.2 t0 -107.01 -63.11 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 2.6899999999999999 109.341 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -131.07 147.89 52.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 2.4900000000000002 109.253 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.452 HG21 ' CB ' ' A' ' 382' ' ' ALA . 21.3 t -145.75 128.43 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 4.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 433' ' ' PHE . . . . . 0.552 ' CE2' ' HB3' ' A' ' 441' ' ' TYR . 26.7 p90 -146.45 138.89 25.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 4.0300000000000002 111.064 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -119.68 120.02 35.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 4.46 110.982 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 435' ' ' SER . . . . . 0.449 ' HB2' ' CB ' ' A' ' 293' ' ' THR . 10.9 t -134.3 9.99 3.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 3.73 110.005 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 436' ' ' LYS . . . . . 0.47 ' CB ' ' HB2' ' A' ' 439' ' ' TYR . 0.2 OUTLIER -100.41 -154.35 0.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 5.8099999999999996 109.334 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -109.83 -39.44 5.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 5.3499999999999996 109.265 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 438' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 438' ' ' LYS . 0.3 OUTLIER -147.31 39.37 0.99 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.402 1.064 . . . . 6.5 109.369 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 439' ' ' TYR . . . . . 0.47 ' HB2' ' CB ' ' A' ' 436' ' ' LYS . 86.7 m-85 -138.06 147.27 43.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 4.6500000000000004 111.016 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 440' ' ' TYR . . . . . 0.424 ' HB2' ' CE1' ' A' ' 442' ' ' PHE . 7.4 m-85 -128.05 136.48 51.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 4.1799999999999997 110.942 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 441' ' ' TYR . . . . . 0.552 ' HB3' ' CE2' ' A' ' 433' ' ' PHE . 83.8 m-85 -105.05 130.36 53.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 4.4900000000000002 111.009 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . 0.424 ' CE1' ' HB2' ' A' ' 440' ' ' TYR . 37.0 m-85 -123.3 149.81 44.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 4.0999999999999996 111.016 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 443' ' ' PHE . . . . . 0.535 ' CE1' ' HB3' ' A' ' 448' ' ' GLN . 1.5 m-85 -123.54 122.08 37.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 5.6600000000000001 110.969 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 444' ' ' GLN . . . . . 0.44 ' O ' ' ND2' ' A' ' 447' ' ' ASN . 0.0 OUTLIER -126.97 77.58 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 4.1399999999999997 110.313 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 98.11 -113.56 4.76 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.442 1.089 . . . . 2.4900000000000002 111.048 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 67.9 p -111.47 11.44 21.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 2.4399999999999999 109.989 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 447' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 444' ' ' GLN . 0.2 OUTLIER -132.92 133.23 42.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 2.02 109.277 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 448' ' ' GLN . . . . . 0.535 ' HB3' ' CE1' ' A' ' 443' ' ' PHE . 0.1 OUTLIER -113.5 134.82 54.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 4.9500000000000002 110.247 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -108.27 151.19 26.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 3.9100000000000001 110.979 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . 0.538 ' OE1' ' CE1' ' A' ' 441' ' ' TYR . 57.2 tt0 -124.13 100.42 6.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 3.04 110.331 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -79.62 119.84 23.12 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.541 1.151 . . . . 4.1799999999999997 111.035 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.17 158.55 16.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 4.21 109.282 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -90.82 -10.91 41.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 5.2999999999999998 111.009 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 12.2 tp -47.06 -34.97 6.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 4.25 109.304 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.442 ' CD1' ' HB2' ' A' ' 457' ' ' ARG . 0.3 OUTLIER -168.08 32.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 4.2800000000000002 109.242 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 44.3 58.72 3.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 3.5499999999999998 110.326 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 457' ' ' ARG . . . . . 0.442 ' HB2' ' CD1' ' A' ' 455' ' ' LEU . 2.7 mmm180 -140.96 175.65 9.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.612 1.195 . . . . 4.7800000000000002 110.277 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 11.4 mt -110.29 121.57 63.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 3.0299999999999998 109.291 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 13.6 t -110.79 -19.81 12.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 3.2000000000000002 110.452 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.37 134.48 53.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 5.6399999999999997 109.33 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 4.0 p -155.12 87.07 1.11 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.529 1.143 . . . . 3.5899999999999999 110.354 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 462' ' ' LEU . . . . . 0.423 ' CD2' ' HG2' ' A' ' 448' ' ' GLN . 0.0 OUTLIER -105.63 150.82 25.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 4.0300000000000002 109.27 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 31.5 mtpt -95.48 159.98 14.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.588 1.18 . . . . 4.0700000000000003 109.307 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 16.9 t -51.8 -44.59 63.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 2.3900000000000001 109.991 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -94.08 51.59 1.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 3.1800000000000002 109.305 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 466' ' ' SER . . . . . 0.413 ' HB3' ' CD1' ' A' ' 462' ' ' LEU . 0.2 OUTLIER -128.5 51.75 1.97 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 3.46 110.04 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -177.89 -40.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 5.5800000000000001 108.013 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 468' ' ' PHE . . . . . 0.567 ' C ' ' CD1' ' A' ' 468' ' ' PHE . 0.1 OUTLIER -61.08 -28.37 69.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 8.6999999999999993 111.022 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 113.79 42.27 0.87 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.525 1.141 . . . . 2.9900000000000002 111.024 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 N-CA-C 108.387 -0.968 . . . . 3.5299999999999998 108.387 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 281' ' ' LEU . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 468' ' ' PHE . 15.6 mt . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.31 -0.626 . . . . 3.0699999999999998 109.31 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 282' ' ' CYS . . . . . . . . . . . . . 7.2 t -96.78 57.97 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 2.8700000000000001 108.288 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 283' ' ' ASP . . . . . 0.41 ' HB3' ' ND2' ' A' ' 285' ' ' ASN . 11.6 m-20 -167.7 127.4 1.08 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 3.1800000000000002 109.342 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 81.92 2.12 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.552 1.817 . . . . 1.96 111.023 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 285' ' ' ASN . . . . . 0.435 ' N ' HD21 ' A' ' 285' ' ' ASN . 0.0 OUTLIER -174.93 34.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 2.6699999999999999 109.338 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -101.69 139.34 37.47 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 2.9500000000000002 109.371 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 56.8 p -132.36 151.22 51.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 2.2400000000000002 110.016 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 288' ' ' PHE . . . . . 0.769 ' CE2' ' CD1' ' A' ' 300' ' ' PHE . 16.8 m-85 -119.88 166.05 13.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 3.8900000000000001 110.983 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.0 -62.6 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 2.2599999999999998 109.281 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -127.65 160.61 31.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 1.8100000000000001 109.288 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 291' ' ' VAL . . . . . . . . . . . . . 16.9 m -142.85 135.91 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 3.0600000000000001 109.306 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 292' ' ' THR . . . . . 0.441 ' OG1' ' CB ' ' A' ' 335' ' ' ALA . 1.6 m -151.72 158.51 43.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 2.6600000000000001 110.36 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 9.4 t -129.08 149.61 50.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 2.9199999999999999 110.43 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 53.0 t -130.94 71.72 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 2.5899999999999999 109.308 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 94.33 -107.55 3.56 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.575 1.172 . . . . 1.71 111.033 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 296' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 296' ' ' ASN . 2.5 p-10 -108.46 18.21 21.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 0.738 . . . . 4.1600000000000001 109.252 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . 0.499 ' CG ' HG23 ' A' ' 310' ' ' VAL . 0.0 OUTLIER -125.32 153.63 43.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 4.4500000000000002 109.283 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 2.2 pp -124.1 172.17 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 4.3200000000000003 109.289 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -144.2 125.87 15.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 3.46 111.002 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 300' ' ' PHE . . . . . 0.769 ' CD1' ' CE2' ' A' ' 288' ' ' PHE . 4.8 m-85 -109.06 98.52 7.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 4.2699999999999996 110.992 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -80.59 143.15 33.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 3.79 110.974 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -111.78 -63.45 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.165 . . . . 4.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -167.54 -60.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 3.6699999999999999 109.252 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.16 -27.99 8.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 6.7699999999999996 110.27 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 305' ' ' PHE . . . . . 0.473 ' CE1' HD12 ' A' ' 320' ' ' LEU . 24.5 m-85 -113.72 161.31 17.67 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 3.9399999999999999 111.043 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 306' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -123.51 135.46 54.05 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.594 1.184 . . . . 2.21 111.021 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 307' ' ' TRP . . . . . 0.498 ' CE2' HG22 ' A' ' 318' ' ' VAL . 1.4 m-90 -90.13 146.97 23.89 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.963 -1.125 . . . . 6.2199999999999998 107.963 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.65 79.31 1.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 3.02 109.312 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -105.26 88.55 2.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 3.1499999999999999 109.299 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 310' ' ' VAL . . . . . 0.499 HG23 ' CG ' ' A' ' 297' ' ' LYS . 4.9 p -105.65 178.53 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.621 1.2 . . . . 3.6800000000000002 109.35 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 10.9 t -67.18 139.03 57.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 6.1500000000000004 110.031 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 70.49 41.41 0.98 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 5.6200000000000001 110.298 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -106.31 130.1 23.49 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 5.2400000000000002 110.317 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -36.1 2.71 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.538 1.81 . . . . 2.8100000000000001 111.044 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -156.28 162.72 40.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.093 . . . . 4.9299999999999997 109.311 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 24.4 p -80.17 144.04 33.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 2.8399999999999999 110.409 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.19 156.89 18.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 2.1200000000000001 109.986 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 318' ' ' VAL . . . . . 0.498 HG22 ' CE2' ' A' ' 307' ' ' TRP . 84.4 t -142.98 65.57 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 3.02 109.293 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -105.32 -179.56 3.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 2.3500000000000001 109.274 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . 0.473 HD12 ' CE1' ' A' ' 305' ' ' PHE . 0.6 OUTLIER -103.69 158.15 16.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 2.9700000000000002 109.232 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 321' ' ' ILE . . . . . . . . . . . . . 4.1 mt -68.26 -72.74 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 2.1499999999999999 109.297 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 62.2 m -41.55 -32.91 0.39 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 2.5499999999999998 110.026 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.39 -46.43 6.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 1.75 109.938 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.94 -76.72 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 2.9700000000000002 109.281 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -46.94 148.25 1.96 Allowed Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.519 1.137 . . . . 1.8400000000000001 108.067 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -74.99 -74.22 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.525 1.803 . . . . 1.3300000000000001 110.996 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 327' ' ' THR . . . . . . . . . . . . . 73.9 m -111.66 94.11 4.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 3.04 110.468 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 328' ' ' LEU . . . . . 0.431 ' CD1' ' HD2' ' A' ' 329' ' ' PRO . 3.2 mm? -137.21 141.24 33.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 2.1200000000000001 109.309 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 329' ' ' PRO . . . . . 0.431 ' HD2' ' CD1' ' A' ' 328' ' ' LEU . 18.3 Cg_endo -74.96 158.02 42.61 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.533 1.807 . . . . 2.0600000000000001 111.051 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 8.3 p -108.89 152.26 25.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 3.0699999999999998 109.962 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 74.28 45.33 25.2 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.49 1.119 . . . . 1.5 110.991 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.429 ' CG2' ' O ' ' A' ' 334' ' ' ALA . 20.5 mt -58.17 129.66 20.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.403 0.707 . . . . 2.54 109.339 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.61 -37.72 14.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.383 1.052 . . . . 3.2200000000000002 110.29 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 334' ' ' ALA . . . . . 0.429 ' CB ' ' HA ' ' A' ' 382' ' ' ALA . . . -136.11 157.36 47.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 2.1000000000000001 109.308 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . 0.441 ' CB ' ' OG1' ' A' ' 292' ' ' THR . . . -146.09 108.67 4.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 2.1000000000000001 109.317 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 336' ' ' TYR . . . . . 0.541 ' CE1' HG21 ' A' ' 392' ' ' THR . 34.9 t80 -103.8 147.03 27.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 4.5 111.014 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -116.36 124.4 49.97 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.442 1.089 . . . . 4.8899999999999997 110.247 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 338' ' ' ILE . . . . . 0.433 ' CG2' ' O ' ' A' ' 338' ' ' ILE . 3.4 tt -97.96 74.8 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 5.1500000000000004 109.269 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.3 63.99 0.15 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.143 . . . . 3.6699999999999999 110.339 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 340' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 338' ' ' ILE . . . -140.58 -67.46 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 3.0499999999999998 109.255 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 19.5 ptp180 -94.63 10.04 36.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 4.5599999999999996 110.276 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 54.9 t30 61.47 79.12 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.173 . . . . 2.4399999999999999 109.337 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -150.95 162.42 40.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 3.6600000000000001 110.311 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 344' ' ' VAL . . . . . . . . . . . . . 87.4 t -117.3 133.42 64.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 2.6099999999999999 109.31 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 345' ' ' PHE . . . . . 0.459 ' CE1' HD12 ' A' ' 354' ' ' LEU . 5.2 m-85 -122.67 141.49 51.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 3.8999999999999999 111.026 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . 0.414 HD11 ' CD1' ' A' ' 328' ' ' LEU . 85.2 mt -127.35 169.86 13.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.495 1.122 . . . . 3.6099999999999999 109.282 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 347' ' ' PHE . . . . . 0.484 ' CD1' HD13 ' A' ' 380' ' ' ILE . 33.4 m-85 -138.28 143.34 39.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 3.23 111.02 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 348' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.1 OUTLIER -163.76 117.54 1.51 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 5.3499999999999996 109.273 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 5.4 t0 54.45 -150.88 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 3.1299999999999999 109.28 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 350' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 3.9 t70 -87.88 41.34 0.99 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 4.29 109.242 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.419 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 2.7 mtmp? -155.07 152.77 29.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 3.0899999999999999 109.279 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 352' ' ' TYR . . . . . 0.471 ' CD2' HG21 ' A' ' 368' ' ' ILE . 29.6 p90 -141.25 155.68 45.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 3.8799999999999999 110.999 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 3.5 m-90 -116.65 163.37 16.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 5.4699999999999998 107.973 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 354' ' ' LEU . . . . . 0.459 HD12 ' CE1' ' A' ' 345' ' ' PHE . 0.3 OUTLIER -137.48 135.73 37.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 3.0600000000000001 109.349 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -119.54 115.5 47.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 5.04 109.292 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 6.3 t -116.16 134.5 54.86 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 2.6899999999999999 109.989 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 357' ' ' ASN . . . . . 0.49 ' O ' ' CD2' ' A' ' 358' ' ' LEU . 48.1 m-20 56.38 46.19 21.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 3.9300000000000002 109.242 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 358' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 357' ' ' ASN . 0.2 OUTLIER 54.12 27.45 7.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 4.0099999999999998 109.33 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 1.8 mmt-85 -143.05 127.46 9.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 4.6299999999999999 110.312 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 360' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 166.26 29.6 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.489 1.784 . . . . 1.8400000000000001 111.009 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -76.07 158.9 81.62 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.586 1.179 . . . . 2.5 110.299 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 362' ' ' PRO . . . . . 0.549 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.4 Cg_endo -74.87 59.75 5.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.468 1.772 . . . . 3.21 111.021 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 363' ' ' ASN . . . . . 0.549 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 9.2 m-20 85.73 102.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 4.0899999999999999 109.304 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 364' ' ' TYR . . . . . 0.556 ' CD1' ' HE2' ' A' ' 366' ' ' LYS . 0.0 OUTLIER -128.99 65.99 75.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 3.4100000000000001 111.029 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 54.66 3.68 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.784 . . . . 1.29 111.077 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 366' ' ' LYS . . . . . 0.556 ' HE2' ' CD1' ' A' ' 364' ' ' TYR . 0.3 OUTLIER -79.47 178.22 8.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 3.0499999999999998 109.256 -179.909 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.42 135.57 23.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 2.5899999999999999 109.996 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 368' ' ' ILE . . . . . 0.471 HG21 ' CD2' ' A' ' 352' ' ' TYR . 1.1 pp -61.73 -16.47 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.43 1.081 . . . . 2.8300000000000001 109.328 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 369' ' ' HIS . . . . . 0.485 ' CA ' ' HB2' ' A' ' 373' ' ' PHE . 0.0 OUTLIER -71.05 -37.56 72.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 3.98 109.546 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.59 -9.94 15.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 3.27 109.977 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.97 5.21 51.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 7.5199999999999996 111.014 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 372' ' ' GLY . . . . . 0.424 ' O ' ' HB3' ' A' ' 373' ' ' PHE . . . 157.66 -64.79 0.3 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 3.4500000000000002 110.969 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 373' ' ' PHE . . . . . 0.581 ' CZ ' ' HA ' ' A' ' 375' ' ' ASN . 31.6 t80 58.08 95.04 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.54 0.788 . . . . 5.7800000000000002 111.022 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 374' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -1.13 10.83 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 2.7599999999999998 111.009 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 375' ' ' ASN . . . . . 0.581 ' HA ' ' CZ ' ' A' ' 373' ' ' PHE . 1.5 t-20 74.05 45.77 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 7.6799999999999997 109.326 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -159.53 -43.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 6.7800000000000002 110.945 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 377' ' ' VAL . . . . . . . . . . . . . 34.6 m -48.82 170.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.586 1.179 . . . . 3.96 109.331 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 378' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' A' ' 379' ' ' LYS . 0.0 OUTLIER -177.88 -35.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 6.25 109.287 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 379' ' ' LYS . . . . . 0.455 ' N ' ' HG2' ' A' ' 378' ' ' LYS . 0.0 OUTLIER -149.61 132.54 16.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 2.5299999999999998 109.317 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 380' ' ' ILE . . . . . 0.484 HD13 ' CD1' ' A' ' 347' ' ' PHE . 11.9 mt -98.91 143.55 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 1.8300000000000001 109.287 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 381' ' ' ASP . . . . . 0.411 ' CG ' ' O ' ' A' ' 429' ' ' ILE . 4.1 m-20 -81.11 -49.68 10.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 1.97 109.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 382' ' ' ALA . . . . . 0.439 ' HB3' ' CG1' ' A' ' 432' ' ' VAL . . . -168.1 171.46 9.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 2.6099999999999999 109.294 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -153.53 130.75 11.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 1.9099999999999999 109.284 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 19.0 m -123.38 159.01 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 3.6299999999999999 109.273 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 385' ' ' PHE . . . . . 0.406 ' HB2' ' CE1' ' A' ' 336' ' ' TYR . 20.7 t80 -97.77 153.73 18.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 2.5899999999999999 111.056 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -137.77 93.6 12.15 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 3.5800000000000001 109.308 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -16.72 20.11 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.402 1.738 . . . . 2.21 111.016 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -75.42 -40.33 57.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.396 1.06 . . . . 3.3500000000000001 110.267 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -108.64 13.03 25.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 4.6600000000000001 110.979 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 41.83 51.32 4.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 3.3300000000000001 110.972 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 -151.6 174.03 13.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.613 1.196 . . . . 4.2400000000000002 110.273 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 392' ' ' THR . . . . . 0.541 HG21 ' CE1' ' A' ' 336' ' ' TYR . 18.3 m -131.59 133.78 45.36 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.555 1.159 . . . . 1.72 110.386 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . 0.448 ' CD2' ' CE1' ' A' ' 400' ' ' TYR . 7.2 m-85 -80.42 134.99 36.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 2.3999999999999999 110.997 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 394' ' ' PHE . . . . . 0.501 ' CD1' ' CD1' ' A' ' 403' ' ' TYR . 2.4 m-85 -121.93 105.46 10.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.143 . . . . 3.6499999999999999 110.957 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 395' ' ' PHE . . . . . 0.56 ' CD1' HG21 ' A' ' 429' ' ' ILE . 81.6 m-85 -89.52 116.65 27.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 1.6399999999999999 110.995 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 10.7 m -143.36 131.69 19.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 4.2199999999999998 109.254 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 51.88 -154.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 4.4199999999999999 109.267 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -87.59 49.6 1.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 3.8799999999999999 109.324 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -146.66 162.93 37.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 2.7400000000000002 110.219 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 400' ' ' TYR . . . . . 0.501 ' O ' ' CG ' ' A' ' 400' ' ' TYR . 0.4 OUTLIER -117.15 87.27 2.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 3.3700000000000001 110.996 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -82.42 156.66 24.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 6.4299999999999997 108.0 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -154.09 127.17 8.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 4.5 110.253 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 403' ' ' TYR . . . . . 0.525 ' CD2' ' HB3' ' A' ' 410' ' ' MET . 9.1 m-85 -106.08 177.3 4.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 7.7800000000000002 110.96 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -119.71 129.62 54.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 2.5600000000000001 109.294 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -86.19 -50.3 7.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 3.7400000000000002 110.301 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -59.07 -64.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 9.2300000000000004 110.294 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.79 -39.56 92.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 3.5499999999999998 110.275 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 71.59 46.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 3.3199999999999998 110.329 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 11.4 tpt -144.91 108.86 4.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 3.3300000000000001 110.951 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 410' ' ' MET . . . . . 0.525 ' HB3' ' CD2' ' A' ' 403' ' ' TYR . 0.0 OUTLIER -57.87 129.27 41.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.578 1.174 . . . . 2.8599999999999999 110.943 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.93 135.66 56.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 2.6699999999999999 109.293 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 113.11 3.72 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.448 1.762 . . . . 2.6499999999999999 110.99 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 49.86 101.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.467 1.104 . . . . 1.9399999999999999 111.022 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 414' ' ' TYR . . . . . 0.578 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 1.8 t80 -135.34 62.61 51.33 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 2.3999999999999999 110.974 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 415' ' ' PRO . . . . . 0.432 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -75.02 66.22 6.05 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.507 1.793 . . . . 1.55 111.019 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . 0.578 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 9.7 mmtt -80.68 -171.45 3.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 4.3499999999999996 109.307 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.65 138.73 41.42 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.497 1.123 . . . . 3.9100000000000001 109.304 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 418' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 420' ' ' LYS . 3.6 mp -69.78 -73.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 2.2400000000000002 109.34 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 419' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 418' ' ' ILE . 9.3 t -38.12 -31.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 1.97 110.432 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 418' ' ' ILE . 9.2 mtpt -70.35 -70.0 0.32 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.553 1.158 . . . . 3.3500000000000001 109.343 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . 0.479 ' OD1' ' CZ ' ' A' ' 422' ' ' PHE . 22.8 t-20 -48.79 -50.69 32.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 2.5699999999999998 109.279 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 422' ' ' PHE . . . . . 0.479 ' CZ ' ' OD1' ' A' ' 421' ' ' ASN . 70.1 m-85 -118.48 97.79 5.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 3.8599999999999999 111.006 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -70.07 151.56 45.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 3.6299999999999999 110.26 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 73.61 40.25 47.1 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.443 1.089 . . . . 2.1499999999999999 111.019 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 425' ' ' ILE . . . . . . . . . . . . . 4.8 mm -134.57 -64.64 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 0.752 . . . . 4.3600000000000003 109.362 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 139.62 164.1 9.76 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.459 1.099 . . . . 1.5600000000000001 111.0 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -18.68 18.75 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.525 1.803 . . . . 1.74 110.983 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . 0.443 ' O ' ' NE2' ' A' ' 444' ' ' GLN . 0.9 OUTLIER -128.97 141.73 51.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 4.1299999999999999 109.297 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 429' ' ' ILE . . . . . 0.56 HG21 ' CD1' ' A' ' 395' ' ' PHE . 7.5 tp -111.54 158.17 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 2.6299999999999999 109.33 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -110.01 -45.15 3.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 2.3500000000000001 109.252 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -162.3 152.48 16.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 1.71 109.32 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.552 HG22 ' CE1' ' A' ' 442' ' ' PHE . 8.4 p -159.21 140.61 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 2.5499999999999998 109.231 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 433' ' ' PHE . . . . . 0.434 ' CE2' ' HB3' ' A' ' 435' ' ' SER . 2.3 p90 -153.17 152.92 31.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 3.98 110.984 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 434' ' ' TYR . . . . . 0.599 ' O ' ' CD2' ' A' ' 434' ' ' TYR . 7.9 t80 -102.85 96.03 6.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 5.2599999999999998 111.029 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 435' ' ' SER . . . . . 0.434 ' HB3' ' CE2' ' A' ' 433' ' ' PHE . 98.5 p -108.77 -19.72 13.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 3.3300000000000001 109.975 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 436' ' ' LYS . . . . . 0.402 ' CB ' ' HB2' ' A' ' 439' ' ' TYR . 20.9 mmtt -81.74 -169.23 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 4.4000000000000004 109.3 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -91.63 -42.01 10.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 5.0300000000000002 109.305 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 438' ' ' LYS . . . . . 0.432 ' O ' ' CG ' ' A' ' 438' ' ' LYS . 0.0 OUTLIER -156.85 59.67 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 3.8799999999999999 109.292 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 439' ' ' TYR . . . . . 0.46 ' CE1' ' HB2' ' A' ' 452' ' ' ASP . 34.9 m-85 -146.35 156.19 43.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 3.9100000000000001 111.041 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -118.94 122.84 43.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 4.4000000000000004 111.03 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 441' ' ' TYR . . . . . 0.542 ' CE1' ' HG3' ' A' ' 450' ' ' GLU . 6.7 m-85 -109.39 102.55 11.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 3.3199999999999998 110.999 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . 0.552 ' CE1' HG22 ' A' ' 432' ' ' VAL . 37.8 m-85 -104.06 155.93 18.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 4.3700000000000001 110.948 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 443' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -154.69 150.86 28.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 6.7599999999999998 111.0 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 444' ' ' GLN . . . . . 0.536 ' O ' ' CG ' ' A' ' 444' ' ' GLN . 3.2 tt0 -163.99 66.04 0.16 Allowed 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.449 1.093 . . . . 4.9000000000000004 110.27 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 137.92 -72.27 0.45 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 1.8400000000000001 111.009 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 1.7 t -172.47 49.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 3.2400000000000002 110.002 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.36 123.54 7.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 2.1000000000000001 109.284 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -107.43 94.74 5.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 4.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -82.73 135.33 35.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 3.9700000000000002 110.992 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . 0.542 ' HG3' ' CE1' ' A' ' 441' ' ' TYR . 5.9 tt0 -108.82 115.57 30.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 2.7999999999999998 110.339 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -101.81 152.73 20.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 3.9100000000000001 111.008 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 452' ' ' ASP . . . . . 0.46 ' HB2' ' CE1' ' A' ' 439' ' ' TYR . 46.0 t0 -144.86 162.25 37.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 3.5299999999999998 109.319 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . 0.554 ' O ' ' CD1' ' A' ' 453' ' ' PHE . 25.8 t80 -83.9 -7.93 59.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.586 1.179 . . . . 6.3099999999999996 110.97 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 31.9 tp -45.16 -37.11 4.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 4.4500000000000002 109.346 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -173.48 35.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 3.5800000000000001 109.281 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 40.31 54.2 2.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 5.3200000000000003 110.261 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -139.97 159.02 43.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 4.7000000000000002 110.249 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 56.5 mt -84.5 143.27 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 2.4399999999999999 109.405 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 81.5 p -122.16 -40.11 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 4.1600000000000001 110.433 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 460' ' ' LYS . . . . . 0.434 ' HB3' ' CB ' ' A' ' 450' ' ' GLU . 0.0 OUTLIER -110.16 131.76 54.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 4.5800000000000001 109.293 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 1.9 p -136.45 64.72 1.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 3.3300000000000001 110.429 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -90.87 179.1 5.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 3.0600000000000001 109.286 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -107.96 165.18 11.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 3.0800000000000001 109.274 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 37.7 t -56.12 -46.56 79.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 3.1000000000000001 109.953 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 34.2 p-10 -89.48 56.01 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 3.1400000000000001 109.343 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 30.0 t -106.44 -20.04 13.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.098 . . . . 3.1099999999999999 110.006 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 467' ' ' TRP . . . . . 0.444 ' HA ' ' CE3' ' A' ' 467' ' ' TRP . 0.1 OUTLIER -94.25 -54.68 3.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 4.96 107.999 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 468' ' ' PHE . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 281' ' ' LEU . 17.2 t80 -38.77 -50.91 1.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.587 1.18 . . . . 8.1500000000000004 111.005 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 123.83 60.97 0.19 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.519 1.137 . . . . 2.6899999999999999 111.036 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 N-CA-C 108.331 -0.988 . . . . 3.48 108.331 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 281' ' ' LEU . . . . . 0.591 ' O ' ' CZ ' ' A' ' 468' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.311 -0.626 . . . . 3.0800000000000001 109.311 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 282' ' ' CYS . . . . . 1.127 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 35.8 t 178.2 -80.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 4.5599999999999996 108.282 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 283' ' ' ASP . . . . . 0.411 ' O ' ' ND2' ' A' ' 285' ' ' ASN . 0.6 OUTLIER -93.35 169.03 10.9 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 4.9000000000000004 109.285 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 60.22 5.4 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.443 1.76 . . . . 3.3199999999999998 111.004 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 285' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 283' ' ' ASP . 0.0 OUTLIER -111.12 -15.88 13.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 3.7200000000000002 109.33 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 12.1 tp -106.23 164.09 12.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 4.2300000000000004 109.303 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 90.1 p -144.3 -179.98 6.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 2.4199999999999999 110.006 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 288' ' ' PHE . . . . . 0.42 ' CE2' ' OG ' ' A' ' 464' ' ' SER . 21.7 m-85 -135.26 167.91 20.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 3.1899999999999999 110.982 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.2 -55.64 2.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 2.3100000000000001 109.351 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -132.89 152.43 51.87 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.491 1.119 . . . . 1.6699999999999999 109.285 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 291' ' ' VAL . . . . . . . . . . . . . 3.2 m -149.79 121.02 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 2.8399999999999999 109.279 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 14.9 t -120.73 146.51 46.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 2.1299999999999999 110.396 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 74.4 p -98.02 141.2 31.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.085 . . . . 3.46 110.376 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 294' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 296' ' ' ASN . 88.8 t -137.21 113.48 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 2.8900000000000001 109.3 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 59.58 -81.97 0.01 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.469 1.105 . . . . 1.8899999999999999 110.976 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 296' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 294' ' ' VAL . 34.9 t30 -146.81 34.83 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 0.78 . . . . 4.4000000000000004 109.279 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . 0.466 ' HA ' ' CG1' ' A' ' 310' ' ' VAL . 1.9 mtpt -140.23 168.05 20.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 6.4500000000000002 109.318 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 2.2 pp -137.11 124.83 32.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.518 1.136 . . . . 4.1500000000000004 109.331 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -85.87 127.15 34.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 3.6600000000000001 111.058 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 300' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -97.98 116.94 31.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 3.8900000000000001 111.03 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -112.97 147.89 36.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 3.2799999999999998 111.082 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -128.84 -69.34 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 3.5899999999999999 109.271 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -143.93 -68.13 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 3.21 109.343 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.87 -61.01 1.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 4.54 110.261 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -80.85 171.95 14.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.451 1.094 . . . . 5.4800000000000004 111.024 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 306' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -142.8 158.97 43.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 2.2200000000000002 111.006 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 307' ' ' TRP . . . . . 0.55 ' CD1' HD22 ' A' ' 281' ' ' LEU . 9.0 m-90 -109.27 147.48 32.56 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.009 -1.108 . . . . 5.5700000000000003 108.009 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 8.8 tp -138.73 99.37 3.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 3.7000000000000002 109.29 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -154.91 106.31 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 4.04 109.279 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 310' ' ' VAL . . . . . 0.466 ' CG1' ' HA ' ' A' ' 297' ' ' LYS . 1.6 p -163.69 176.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 4.7400000000000002 109.291 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 9.3 t 64.58 -81.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 4.7300000000000004 110.027 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -154.82 72.65 0.85 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 6.0899999999999999 110.323 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.99 146.3 32.86 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.525 1.14 . . . . 6.3099999999999996 110.301 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -51.67 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 2.4100000000000001 111.037 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 24.5 ttpt -145.22 163.31 34.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 3.9900000000000002 109.277 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 61.3 p -76.15 177.96 6.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.08 . . . . 2.1499999999999999 110.451 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.34 175.52 10.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 2.3900000000000001 110.019 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 318' ' ' VAL . . . . . 0.506 HG13 ' CE2' ' A' ' 307' ' ' TRP . 2.2 m -145.45 83.72 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 3.9300000000000002 109.317 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -101.93 165.99 10.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 2.5299999999999998 109.324 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 61.7 tp -108.46 134.69 50.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 3.79 109.262 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 321' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 322' ' ' SER . 2.3 mt -60.79 -68.11 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 2.7999999999999998 109.301 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 322' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 321' ' ' ILE . 8.6 m -36.69 -42.99 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 2.77 110.04 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 323' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 322' ' ' SER . 3.4 t -38.39 -36.05 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 2.5899999999999999 109.989 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 4.5 mp -107.29 -74.22 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.177 . . . . 3.2999999999999998 109.348 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 325' ' ' TRP . . . . . 0.415 ' CD1' HD23 ' A' ' 328' ' ' LEU . 5.3 m-90 -55.79 130.58 72.27 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 3.98 107.994 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -77.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 2.4700000000000002 110.973 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 327' ' ' THR . . . . . 0.478 ' CG2' ' HG2' ' A' ' 360' ' ' PRO . 10.2 t -85.99 87.55 7.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 2.6299999999999999 110.371 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 328' ' ' LEU . . . . . 0.44 ' CD2' ' O ' ' A' ' 327' ' ' THR . 1.8 mm? -142.48 132.32 12.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 2.0800000000000001 109.358 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 329' ' ' PRO . . . . . 0.425 ' HD2' ' CD1' ' A' ' 328' ' ' LEU . 18.1 Cg_endo -75.02 -30.42 7.16 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 2.6099999999999999 110.929 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 7.2 p 60.33 -169.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 3.8599999999999999 109.987 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 49.08 22.7 3.32 Favored Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.432 1.083 . . . . 1.6899999999999999 111.023 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 346' ' ' LEU . 1.7 mp -50.06 136.52 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.756 . . . . 2.8799999999999999 109.286 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -89.0 -33.92 17.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 3.0 110.279 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -132.61 107.42 8.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 1.96 109.313 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -114.55 121.34 43.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 1.8899999999999999 109.226 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 336' ' ' TYR . . . . . 0.521 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 35.2 p90 -137.89 116.0 11.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 5.54 110.976 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.27 178.72 6.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 3.8399999999999999 110.325 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 338' ' ' ILE . . . . . 0.505 ' CG2' ' O ' ' A' ' 338' ' ' ILE . 0.1 OUTLIER -150.62 105.46 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 4.4699999999999998 109.319 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.15 83.98 7.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 3.3100000000000001 110.32 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -160.44 -60.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 2.2400000000000002 109.318 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 341' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 342' ' ' ASN . 7.9 ptp180 -91.44 -12.31 35.09 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.093 . . . . 6.29 110.365 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 342' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 341' ' ' ARG . 2.0 t-20 77.64 51.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 3.5800000000000001 109.267 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -136.07 142.4 44.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 2.6800000000000002 110.33 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 344' ' ' VAL . . . . . . . . . . . . . 11.1 t -106.35 151.51 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.522 1.139 . . . . 2.6699999999999999 109.297 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 345' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -131.21 130.32 42.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 3.8799999999999999 110.978 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . 0.463 ' HB3' ' CD1' ' A' ' 332' ' ' ILE . 4.0 mm? -131.91 114.65 14.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 2.3500000000000001 109.266 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 347' ' ' PHE . . . . . 0.563 ' CE2' ' HB ' ' A' ' 380' ' ' ILE . 3.3 t80 -99.3 152.73 19.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 8.2100000000000009 111.039 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 348' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.6 128.5 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 6.0599999999999996 109.236 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 6.0 t0 56.65 -150.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 2.9100000000000001 109.284 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 350' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -89.89 40.27 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 4.0800000000000001 109.334 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.414 ' HD2' ' CZ3' ' A' ' 353' ' ' TRP . 1.3 mttp -154.76 151.95 29.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 2.4100000000000001 109.306 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 352' ' ' TYR . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 366' ' ' LYS . 3.6 p90 -141.54 114.55 8.62 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.49 1.119 . . . . 4.1299999999999999 111.015 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 353' ' ' TRP . . . . . 0.598 ' CH2' ' HA ' ' A' ' 365' ' ' PRO . 0.6 OUTLIER -87.14 158.5 19.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 5.6299999999999999 108.008 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 354' ' ' LEU . . . . . 0.413 ' C ' ' CD1' ' A' ' 354' ' ' LEU . 0.3 OUTLIER -124.63 148.98 47.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 3.3399999999999999 109.328 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . 0.415 ' CG1' ' HB3' ' A' ' 360' ' ' PRO . 6.4 mt -135.99 135.27 50.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 2.6699999999999999 109.325 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 356' ' ' SER . . . . . 0.418 ' O ' ' CB ' ' A' ' 357' ' ' ASN . 1.7 t -113.2 106.48 14.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 2.6299999999999999 109.991 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 357' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 356' ' ' SER . 0.2 OUTLIER 76.49 -59.66 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 5.8600000000000003 109.303 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -161.22 -59.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 4.6299999999999999 109.271 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.16 123.09 87.49 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 5.0499999999999998 110.296 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 360' ' ' PRO . . . . . 0.478 ' HG2' ' CG2' ' A' ' 327' ' ' THR . 18.3 Cg_endo -75.03 -178.94 4.53 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.561 1.821 . . . . 1.8300000000000001 111.011 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -79.36 161.51 67.24 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 2.9100000000000001 110.3 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 362' ' ' PRO . . . . . 0.484 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.2 Cg_endo -75.07 64.36 6.11 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.548 1.815 . . . . 3.1200000000000001 110.963 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 363' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 0.7 OUTLIER 80.33 109.51 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.081 . . . . 4.4400000000000004 109.219 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 364' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -130.04 65.3 75.07 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.159 . . . . 3.5600000000000001 111.001 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 365' ' ' PRO . . . . . 0.598 ' HA ' ' CH2' ' A' ' 353' ' ' TRP . 18.5 Cg_endo -75.05 70.48 5.32 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.543 1.812 . . . . 2.1000000000000001 111.052 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 366' ' ' LYS . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 352' ' ' TYR . 6.9 mmtt -83.81 173.33 11.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 3.0299999999999998 109.331 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.84 131.09 37.01 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 3.0600000000000001 110.019 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 35.7 pt -63.72 -41.67 93.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 2.2999999999999998 109.3 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -54.39 -32.03 56.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 3.8399999999999999 109.611 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.72 -7.92 38.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 3.3599999999999999 109.963 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -156.93 45.26 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 6.7400000000000002 110.975 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 372' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -162.4 -51.05 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.49 1.119 . . . . 3.4700000000000002 111.022 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 373' ' ' PHE . . . . . 0.458 ' N ' ' HD3' ' A' ' 374' ' ' PRO . 1.6 t80 37.36 61.01 3.94 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.407 0.71 . . . . 8.6199999999999992 110.928 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 374' ' ' PRO . . . . . 0.458 ' HD3' ' N ' ' A' ' 373' ' ' PHE . 18.2 Cg_endo -75.0 -162.75 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.768 . . . . 2.79 110.995 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -86.66 -26.14 24.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 6.7000000000000002 109.276 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 169.17 80.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.59 1.181 . . . . 5.9500000000000002 110.972 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 377' ' ' VAL . . . . . . . . . . . . . 13.5 p -88.82 165.64 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 3.4500000000000002 109.28 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -174.36 -45.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.148 . . . . 3.8100000000000001 109.363 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.99 134.81 20.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 2.9199999999999999 109.348 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 380' ' ' ILE . . . . . 0.563 ' HB ' ' CE2' ' A' ' 347' ' ' PHE . 25.9 mt -101.58 147.23 8.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.515 1.134 . . . . 2.1200000000000001 109.34 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 381' ' ' ASP . . . . . 0.416 ' N ' HG21 ' A' ' 380' ' ' ILE . 6.0 m-20 -79.71 -50.06 11.16 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.581 1.176 . . . . 2.2599999999999998 109.336 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 382' ' ' ALA . . . . . 0.41 ' CB ' ' HA ' ' A' ' 431' ' ' ALA . . . -158.18 168.78 26.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 1.7 109.317 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -152.21 133.54 14.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 1.8700000000000001 109.268 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 4.1 p -144.75 154.58 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 3.1200000000000001 109.32 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -98.6 151.43 20.69 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.587 1.18 . . . . 2.3199999999999998 111.056 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -122.38 110.1 32.59 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 3.3500000000000001 109.222 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -9.99 20.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 1.76 110.907 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 1.5 tpt85 -73.59 -49.24 27.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 2.7200000000000002 110.256 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -119.2 18.05 13.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 5.1600000000000001 110.94 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 390' ' ' TYR . . . . . 0.432 ' CB ' ' HB3' ' A' ' 406' ' ' ARG . 24.8 m-85 43.68 36.14 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 3.7400000000000002 110.998 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -108.97 178.61 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 3.79 110.321 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 52.7 m -134.5 134.56 41.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 2.0800000000000001 110.422 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -95.52 127.83 41.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 3.3799999999999999 111.033 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -123.36 117.82 26.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 3.4700000000000002 110.975 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 395' ' ' PHE . . . . . 0.477 ' CD1' HG12 ' A' ' 418' ' ' ILE . 65.1 m-85 -100.61 131.0 46.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 1.71 111.001 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 396' ' ' VAL . . . . . 0.408 ' CG1' ' CZ3' ' A' ' 401' ' ' TRP . 14.5 p -145.99 133.03 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 4.1600000000000001 109.295 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 48.42 -152.28 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 3.8799999999999999 109.299 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -88.13 45.85 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 3.5099999999999998 109.355 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 399' ' ' GLN . . . . . 0.449 ' HB3' ' CZ3' ' A' ' 401' ' ' TRP . 0.1 OUTLIER -145.36 179.81 7.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 3.77 110.269 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 400' ' ' TYR . . . . . 0.594 ' CE1' ' O ' ' A' ' 401' ' ' TRP . 8.1 t80 -141.17 151.48 43.88 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.447 1.092 . . . . 3.9199999999999999 110.952 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 401' ' ' TRP . . . . . 0.594 ' O ' ' CE1' ' A' ' 400' ' ' TYR . 2.6 m-90 -139.95 165.02 28.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 7.0 108.007 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -149.26 108.45 3.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 3.4700000000000002 110.299 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -95.89 152.68 18.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.411 1.069 . . . . 6.0999999999999996 110.944 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.56 119.73 38.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 2.1000000000000001 109.266 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.58 -33.9 14.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 3.3599999999999999 110.247 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . 0.432 ' HB3' ' CB ' ' A' ' 390' ' ' TYR . 1.6 ppt_? -71.18 -34.4 70.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 6.8600000000000003 110.319 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 407' ' ' ARG . . . . . 0.461 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.0 OUTLIER -91.14 -40.89 11.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 3.2400000000000002 110.237 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . 0.461 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 5.3 tt0 83.57 40.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.097 . . . . 2.73 110.325 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 2.9 tpp -154.68 110.23 3.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 2.8599999999999999 110.933 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.53 140.04 14.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 3.9399999999999999 111.009 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.69 140.74 47.9 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 2.8900000000000001 109.289 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 107.83 2.57 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.512 1.796 . . . . 3.6400000000000001 110.946 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 47.86 93.02 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 2.3599999999999999 110.986 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 414' ' ' TYR . . . . . 0.527 ' CZ ' ' HG3' ' A' ' 416' ' ' LYS . 80.5 t80 -134.52 61.7 50.53 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 6.3399999999999999 111.007 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 415' ' ' PRO . . . . . 0.44 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -74.99 78.26 2.94 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.546 1.814 . . . . 1.6100000000000001 111.024 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . 0.527 ' HG3' ' CZ ' ' A' ' 414' ' ' TYR . 48.9 mmtt -100.57 -175.95 3.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 3.1299999999999999 109.288 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.74 157.24 45.43 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.526 1.141 . . . . 3.1400000000000001 109.352 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 418' ' ' ILE . . . . . 0.477 HG12 ' CD1' ' A' ' 395' ' ' PHE . 2.6 mp -60.11 -65.14 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 2.6699999999999999 109.263 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.31 -17.23 41.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 2.3300000000000001 110.427 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -70.82 -72.52 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 2.9199999999999999 109.305 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -70.26 -53.4 17.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 3.0299999999999998 109.318 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 422' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -98.05 103.85 15.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 5.7999999999999998 110.96 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -85.64 156.11 20.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 4.1200000000000001 110.276 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 92.25 -33.56 4.86 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.525 1.141 . . . . 1.6799999999999999 110.928 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 425' ' ' ILE . . . . . . . . . . . . . 4.3 mm -62.63 -72.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 0.771 . . . . 4.2599999999999998 109.292 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 142.36 -175.37 22.86 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 1.3200000000000001 110.969 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -40.72 0.85 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.551 1.816 . . . . 2.0499999999999998 111.066 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -117.64 130.35 56.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 3.96 109.289 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 429' ' ' ILE . . . . . 0.402 ' O ' ' CG ' ' A' ' 381' ' ' ASP . 7.1 tp -116.24 139.78 41.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 3.04 109.347 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.77 -83.56 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 2.71 109.251 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 431' ' ' ALA . . . . . 0.41 ' HA ' ' CB ' ' A' ' 382' ' ' ALA . . . -129.94 166.11 20.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 1.9099999999999999 109.334 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.523 HG22 ' CE2' ' A' ' 442' ' ' PHE . 2.9 p -160.03 150.43 6.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 2.9199999999999999 109.271 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 433' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 441' ' ' TYR . 4.6 p90 -148.64 166.12 29.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 5.0499999999999998 110.968 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -114.3 112.34 22.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 4.0 110.999 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 435' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 436' ' ' LYS . 60.5 p -134.39 83.42 2.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 3.6099999999999999 110.037 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 436' ' ' LYS . . . . . 0.524 ' HD3' ' CD1' ' A' ' 439' ' ' TYR . 1.8 mttt 169.82 -162.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 6.2999999999999998 109.303 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -95.21 -34.07 12.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 5.7000000000000002 109.314 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 438' ' ' LYS . . . . . 0.467 ' HA ' ' CE ' ' A' ' 438' ' ' LYS . 0.0 OUTLIER -161.36 62.6 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.123 . . . . 4.8899999999999997 109.273 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 439' ' ' TYR . . . . . 0.524 ' CD1' ' HD3' ' A' ' 436' ' ' LYS . 3.1 m-85 -146.96 163.19 36.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 4.25 111.05 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 440' ' ' TYR . . . . . 0.552 ' HB3' ' CE1' ' A' ' 442' ' ' PHE . 52.0 m-85 -132.02 125.37 31.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.176 . . . . 4.7699999999999996 111.021 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 441' ' ' TYR . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 433' ' ' PHE . 26.9 m-85 -105.02 106.01 16.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 3.8999999999999999 111.033 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . 0.552 ' CE1' ' HB3' ' A' ' 440' ' ' TYR . 90.5 m-85 -99.71 164.76 11.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 4.6600000000000001 110.983 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 443' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 444' ' ' GLN . 0.1 OUTLIER -144.81 139.59 27.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 7.1600000000000001 111.032 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 444' ' ' GLN . . . . . 0.418 ' N ' ' CD1' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -158.05 97.59 1.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 4.2699999999999996 110.348 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 107.51 -69.07 0.22 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 1.95 111.003 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 1.3 m 179.3 41.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 3.1200000000000001 110.001 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -147.22 132.94 18.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 3.4300000000000002 109.256 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 448' ' ' GLN . . . . . 0.469 ' O ' ' CD2' ' A' ' 462' ' ' LEU . 1.8 pt20 -118.14 85.33 2.33 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.511 1.132 . . . . 4.7599999999999998 110.256 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 449' ' ' PHE . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 442' ' ' PHE . 33.1 p90 -81.93 165.28 20.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 6.8200000000000003 110.97 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . 0.514 ' HG3' ' CE2' ' A' ' 441' ' ' TYR . 0.1 OUTLIER -98.52 164.08 12.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 3.8599999999999999 110.289 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -152.42 126.45 9.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 3.9199999999999999 110.978 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -99.4 128.93 45.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 3.7799999999999998 109.26 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -78.25 4.98 11.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 5.6200000000000001 110.98 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 45.0 tp -89.17 5.69 43.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.435 1.084 . . . . 5.04 109.272 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.475 ' O ' ' CB ' ' A' ' 456' ' ' GLN . 0.7 OUTLIER -171.72 -38.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 4.1500000000000004 109.277 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 456' ' ' GLN . . . . . 0.475 ' CB ' ' O ' ' A' ' 455' ' ' LEU . 1.6 mt-30 84.26 64.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 4.0599999999999996 110.288 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 457' ' ' ARG . . . . . 0.437 ' HB2' ' CD1' ' A' ' 455' ' ' LEU . 0.1 OUTLIER -146.1 143.67 29.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 7.2400000000000002 110.302 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 458' ' ' ILE . . . . . 0.503 HD12 ' CD1' ' A' ' 449' ' ' PHE . 91.5 mt -80.49 137.44 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 3.1000000000000001 109.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 34.7 p -120.19 -42.52 2.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 3.6499999999999999 110.399 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt -109.44 141.51 41.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 4.8300000000000001 109.324 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 21.8 p -142.31 78.65 1.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 2.9100000000000001 110.408 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 462' ' ' LEU . . . . . 0.469 ' CD2' ' O ' ' A' ' 448' ' ' GLN . 1.9 pt? -97.42 172.2 7.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.084 . . . . 2.79 109.322 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -95.03 144.75 25.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 4.29 109.301 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 464' ' ' SER . . . . . 0.42 ' OG ' ' CE2' ' A' ' 288' ' ' PHE . 4.0 t -40.79 -43.78 2.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 2.1200000000000001 109.989 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -99.11 70.74 1.8 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.516 1.135 . . . . 4.1299999999999999 109.277 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 9.1 t -110.65 -20.56 12.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 3.04 109.965 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -91.16 -47.72 7.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 6.29 108.015 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 468' ' ' PHE . . . . . 0.591 ' CZ ' ' O ' ' A' ' 281' ' ' LEU . 9.2 t80 -39.87 -37.62 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 8.6099999999999994 111.067 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 120.68 36.4 0.78 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.441 1.088 . . . . 2.9500000000000002 111.003 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 470' ' ' CYS . . . . . 1.127 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 N-CA-C 108.284 -1.006 . . . . 3.5800000000000001 108.284 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 281' ' ' LEU . . . . . 0.564 HD22 ' CH2' ' A' ' 307' ' ' TRP . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.305 -0.628 . . . . 4.2400000000000002 109.305 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 282' ' ' CYS . . . . . 1.151 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 53.2 m -84.38 69.31 10.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 3.1600000000000001 108.25 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -177.31 110.06 0.23 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 4.1699999999999999 109.325 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 60.89 5.57 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.405 1.74 . . . . 2.1099999999999999 111.046 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 285' ' ' ASN . . . . . 0.441 ' ND2' ' N ' ' A' ' 285' ' ' ASN . 0.0 OUTLIER -161.92 48.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 4.8600000000000003 109.242 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 14.6 mt -93.32 128.38 39.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 4.6799999999999997 109.312 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 287' ' ' SER . . . . . 0.408 ' O ' ' CE ' ' A' ' 302' ' ' LYS . 2.8 t -115.29 148.38 39.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 3.3500000000000001 109.996 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 288' ' ' PHE . . . . . 0.521 ' CD1' ' CD2' ' A' ' 443' ' ' PHE . 21.4 m-85 -121.42 168.15 12.0 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.566 1.166 . . . . 3.9300000000000002 111.053 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -126.09 -53.21 1.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.579 1.174 . . . . 3.2400000000000002 109.242 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -137.85 137.15 37.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 2.0800000000000001 109.259 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 291' ' ' VAL . . . . . 0.556 HG11 ' CE1' ' A' ' 443' ' ' PHE . 6.1 m -135.46 135.68 51.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 3.25 109.338 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 11.8 t -155.29 153.4 30.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 2.1000000000000001 110.413 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 10.5 t -131.82 158.32 41.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 3.6400000000000001 110.35 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 70.9 t -147.96 95.86 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 2.9900000000000002 109.379 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 88.29 -118.01 4.97 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 1.75 110.983 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -107.54 5.67 27.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 4.9400000000000004 109.31 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -110.37 136.44 49.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 3.7000000000000002 109.255 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 16.5 pt -112.57 129.74 67.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 3.3399999999999999 109.293 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -106.28 126.73 52.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 3.8500000000000001 111.031 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 300' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -119.32 119.56 34.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 4.0199999999999996 110.98 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -96.0 134.46 39.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 3.1099999999999999 110.989 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 302' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 304' ' ' ARG . 0.0 OUTLIER -131.9 89.24 2.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 3.7000000000000002 109.274 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 56.71 -87.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 4.6699999999999999 109.324 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 304' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 302' ' ' LYS . 0.2 OUTLIER -118.39 -19.89 8.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 5.2000000000000002 110.291 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 305' ' ' PHE . . . . . 0.569 ' CD2' HG11 ' A' ' 318' ' ' VAL . 2.6 m-85 -87.45 140.18 29.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 6.1900000000000004 110.988 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 306' ' ' PHE . . . . . 0.438 ' CB ' ' O ' ' A' ' 319' ' ' ASN . 0.5 OUTLIER -106.2 108.99 20.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 6.04 110.974 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 307' ' ' TRP . . . . . 0.564 ' CH2' HD22 ' A' ' 281' ' ' LEU . 0.0 OUTLIER -84.27 138.67 32.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 7.2000000000000002 108.008 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 13.0 tp -143.3 127.54 17.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 3.9500000000000002 109.338 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 309' ' ' LYS . . . . . 0.449 ' CE ' ' HA ' ' A' ' 468' ' ' PHE . 3.7 tptt -153.76 93.89 1.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 3.2999999999999998 109.326 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 310' ' ' VAL . . . . . . . . . . . . . 1.2 p -174.33 -179.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 2.8900000000000001 109.35 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 311' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 312' ' ' GLU . 11.6 t 44.41 88.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 5.1900000000000004 109.994 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 312' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 311' ' ' SER . 2.1 tt0 37.03 73.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 5.4400000000000004 110.335 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.07 118.86 19.54 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 5.0800000000000001 110.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -33.03 4.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.526 1.803 . . . . 2.48 111.007 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -143.15 168.11 20.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 5.3799999999999999 109.308 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 316' ' ' THR . . . . . 0.616 ' CG2' ' CD1' ' A' ' 468' ' ' PHE . 12.7 p -75.3 170.1 16.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 2.25 110.419 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.52 172.08 11.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 2.8199999999999998 110.002 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 318' ' ' VAL . . . . . 0.569 HG11 ' CD2' ' A' ' 305' ' ' PHE . 40.4 t -132.22 94.15 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 2.9399999999999999 109.251 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 319' ' ' ASN . . . . . 0.438 ' O ' ' CB ' ' A' ' 306' ' ' PHE . 1.6 m120 -103.61 -179.95 4.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 3.79 109.277 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . 0.45 ' HB3' ' CB ' ' A' ' 323' ' ' SER . 0.1 OUTLIER -136.77 139.33 41.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 3.3999999999999999 109.28 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 321' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 324' ' ' LEU . 3.9 mp -59.13 -73.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 2.1600000000000001 109.241 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 5.6 m -44.92 -39.68 5.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 3.3399999999999999 109.983 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 323' ' ' SER . . . . . 0.45 ' CB ' ' HB3' ' A' ' 320' ' ' LEU . 29.1 t -55.42 -36.03 66.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 1.8799999999999999 110.097 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 321' ' ' ILE . 4.1 mm? -102.81 -79.78 0.52 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 4.4000000000000004 109.311 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -52.09 151.54 6.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 1.8100000000000001 108.007 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -89.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.483 1.78 . . . . 1.0900000000000001 110.998 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 327' ' ' THR . . . . . 0.492 ' O ' ' CD2' ' A' ' 328' ' ' LEU . 1.2 m -93.88 91.22 6.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 3.5800000000000001 110.35 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 328' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 327' ' ' THR . 1.5 mm? -145.41 130.79 9.28 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 2.4199999999999999 109.255 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 329' ' ' PRO . . . . . 0.441 ' CB ' ' HG2' ' A' ' 348' ' ' LYS . 18.3 Cg_endo -75.02 176.83 9.4 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.446 1.761 . . . . 1.95 110.972 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 4.7 m -115.19 154.08 29.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 2.73 110.009 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 74.53 49.15 11.83 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.107 . . . . 1.5700000000000001 110.946 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 14.5 mt -49.11 136.48 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.447 0.733 . . . . 3.0699999999999998 109.287 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -85.0 -40.72 16.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 2.73 110.303 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -160.63 133.4 6.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 1.95 109.329 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . 0.436 ' CB ' HD12 ' A' ' 346' ' ' LEU . . . -132.34 142.53 49.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 2.1000000000000001 109.19 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 336' ' ' TYR . . . . . 0.538 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 3.9 p90 -154.9 126.69 7.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 4.1699999999999999 111.036 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -110.67 151.85 27.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 5.2800000000000002 110.302 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 338' ' ' ILE . . . . . 0.558 HD11 ' CE2' ' A' ' 385' ' ' PHE . 11.4 mm -129.97 115.85 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 4.4299999999999997 109.257 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -62.59 -39.32 93.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 3.9500000000000002 110.338 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -57.29 -52.07 66.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 2.5800000000000001 109.298 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.65 -24.76 58.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.586 1.179 . . . . 6.8399999999999999 110.31 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 1.2 t30 59.61 39.23 21.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 2.6800000000000002 109.237 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -124.87 177.77 5.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 3.2999999999999998 110.356 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 344' ' ' VAL . . . . . . . . . . . . . 52.2 t -143.32 117.33 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 2.3900000000000001 109.385 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 345' ' ' PHE . . . . . 0.474 ' HB2' ' CE1' ' A' ' 336' ' ' TYR . 8.4 m-85 -109.62 134.92 51.37 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.119 . . . . 3.9199999999999999 110.987 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . 0.436 HD12 ' CB ' ' A' ' 335' ' ' ALA . 0.7 OUTLIER -132.23 124.57 29.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 3.75 109.324 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 347' ' ' PHE . . . . . 0.468 ' CE2' ' CE1' ' A' ' 352' ' ' TYR . 6.1 m-85 -99.11 141.1 32.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 3.48 111.046 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 348' ' ' LYS . . . . . 0.441 ' HG2' ' CB ' ' A' ' 329' ' ' PRO . 0.0 OUTLIER -153.54 114.1 4.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 4.2300000000000004 109.308 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 3.1 t0 50.15 -149.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 3.3399999999999999 109.232 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 350' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 1.9 p-10 -86.25 40.44 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 3.6899999999999999 109.316 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -141.26 140.7 33.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 3.3799999999999999 109.297 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 352' ' ' TYR . . . . . 0.566 ' CE2' HG23 ' A' ' 368' ' ' ILE . 0.1 OUTLIER -102.59 152.45 21.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 5.8300000000000001 111.053 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -155.63 127.06 7.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 5.4100000000000001 108.064 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 354' ' ' LEU . . . . . 0.42 ' O ' ' CB ' ' A' ' 360' ' ' PRO . 0.1 OUTLIER -126.84 135.04 50.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 3.3999999999999999 109.283 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 3.3 mp -96.67 109.63 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 2.6699999999999999 109.31 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 356' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 358' ' ' LEU . 11.1 t -89.73 106.63 18.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 2.3700000000000001 109.966 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 68.82 -65.35 0.29 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 4.7599999999999998 109.257 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 358' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 356' ' ' SER . 0.2 OUTLIER -144.15 -52.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 6.3200000000000003 109.343 179.919 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 2.1 tpt85 -93.14 128.03 44.71 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 8.5800000000000001 110.333 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 360' ' ' PRO . . . . . 0.47 ' HG3' ' CD2' ' A' ' 328' ' ' LEU . 18.0 Cg_endo -74.99 -171.36 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.512 1.796 . . . . 1.8300000000000001 110.983 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -79.73 126.32 80.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 2.3399999999999999 110.348 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 362' ' ' PRO . . . . . 0.569 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.3 Cg_endo -74.91 91.07 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 2.2000000000000002 110.995 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 363' ' ' ASN . . . . . 0.569 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 2.1 t-20 87.03 73.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 4.46 109.349 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 364' ' ' TYR . . . . . 0.575 ' CE2' ' HD3' ' A' ' 366' ' ' LYS . 0.2 OUTLIER -135.08 57.01 18.35 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 3.4300000000000002 110.993 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 365' ' ' PRO . . . . . 0.539 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -75.01 54.77 3.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.549 1.815 . . . . 1.73 111.004 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 366' ' ' LYS . . . . . 0.575 ' HD3' ' CE2' ' A' ' 364' ' ' TYR . 0.2 OUTLIER -51.61 144.94 9.81 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.459 1.099 . . . . 2.7000000000000002 109.284 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 367' ' ' SER . . . . . 0.408 ' HB2' ' ND1' ' A' ' 369' ' ' HIS . 51.6 p -95.33 109.65 21.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 4.6600000000000001 109.961 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 368' ' ' ILE . . . . . 0.566 HG23 ' CE2' ' A' ' 352' ' ' TYR . 5.0 pt -51.64 -22.02 2.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 2.29 109.308 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 369' ' ' HIS . . . . . 0.476 ' C ' ' CD2' ' A' ' 369' ' ' HIS . 0.4 OUTLIER -65.53 -14.48 61.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 4.5700000000000003 109.593 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 370' ' ' SER . . . . . 0.534 ' O ' ' CD2' ' A' ' 371' ' ' PHE . 17.7 t -66.83 -15.21 63.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 4.5499999999999998 109.986 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 371' ' ' PHE . . . . . 0.534 ' CD2' ' O ' ' A' ' 370' ' ' SER . 0.3 OUTLIER 161.44 -27.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 7.8099999999999996 110.961 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 372' ' ' GLY . . . . . 0.579 ' O ' ' CD2' ' A' ' 373' ' ' PHE . . . -62.94 -12.51 43.24 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.597 1.185 . . . . 6.9699999999999998 111.038 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 373' ' ' PHE . . . . . 0.579 ' CD2' ' O ' ' A' ' 372' ' ' GLY . 7.1 m-85 -177.66 168.93 1.06 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.5 0.765 . . . . 13.789999999999999 110.932 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 374' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -178.2 3.99 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.471 1.774 . . . . 4.8600000000000003 111.015 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -86.8 73.58 9.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 10.449999999999999 109.356 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -178.34 -49.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 5.8399999999999999 110.991 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 377' ' ' VAL . . . . . 0.56 HG22 ' CD1' ' A' ' 373' ' ' PHE . 4.4 t -43.87 163.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 2.9700000000000002 109.275 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 378' ' ' LYS . . . . . 0.495 ' N ' ' CG1' ' A' ' 377' ' ' VAL . 7.9 mtpt -170.4 -40.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 4.8799999999999999 109.317 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 9.6 pttt -124.61 119.52 29.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 2.8500000000000001 109.27 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 380' ' ' ILE . . . . . 0.544 HG12 ' CZ ' ' A' ' 373' ' ' PHE . 1.7 mt -100.14 155.84 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 2.9199999999999999 109.288 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.33 -46.58 7.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 2.3199999999999998 109.246 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -163.88 162.49 23.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 2.1400000000000001 109.287 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -148.98 132.54 16.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 1.9199999999999999 109.306 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 10.2 p -132.03 153.48 38.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 3.9900000000000002 109.307 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 385' ' ' PHE . . . . . 0.558 ' CE2' HD11 ' A' ' 338' ' ' ILE . 18.6 t80 -122.56 145.85 47.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 2.52 110.978 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -126.33 111.32 23.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 2.6800000000000002 109.278 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -13.73 21.43 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.492 1.785 . . . . 2.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 2.4 tpt85 -82.75 -37.19 24.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 2.9199999999999999 110.312 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -103.13 -6.2 22.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 3.9300000000000002 110.964 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 53.73 42.66 31.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 4.5700000000000003 110.99 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -144.49 142.71 30.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 3.9700000000000002 110.281 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 4.8 m -110.02 123.42 49.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 2.0899999999999999 110.415 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . 0.518 ' CD1' ' N ' ' A' ' 393' ' ' TYR . 3.2 m-30 -83.27 134.61 34.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 2.5299999999999998 110.962 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -121.59 108.55 13.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 3.1400000000000001 111.013 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 395' ' ' PHE . . . . . 0.52 ' CD1' HG21 ' A' ' 418' ' ' ILE . 42.4 m-85 -88.87 122.49 32.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 1.4199999999999999 111.008 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 67.1 t -138.17 124.51 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 2.6699999999999999 109.341 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 51.81 -152.92 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 3.5 109.351 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -85.22 49.86 1.83 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 4.2800000000000002 109.334 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -150.15 169.64 20.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 3.3900000000000001 110.274 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -137.64 145.53 42.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 4.2400000000000002 111.027 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -130.22 174.19 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.969 -1.123 . . . . 5.7199999999999998 107.969 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -152.82 115.3 4.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.098 . . . . 5.0800000000000001 110.349 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 403' ' ' TYR . . . . . 0.464 ' CE2' ' OE2' ' A' ' 405' ' ' GLU . 9.5 t80 -106.71 139.19 41.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 5.7999999999999998 110.998 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -88.4 139.82 30.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.431 1.082 . . . . 2.75 109.297 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . 0.464 ' OE2' ' CE2' ' A' ' 403' ' ' TYR . 17.9 mm-40 -104.76 -43.59 5.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 4.2300000000000004 110.287 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.23 -38.28 86.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 6.9900000000000002 110.333 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 407' ' ' ARG . . . . . 0.414 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.2 OUTLIER -92.42 -40.6 10.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 4.2000000000000002 110.296 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . 0.414 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 0.1 OUTLIER 80.45 32.52 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 3.54 110.309 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 15.4 ttt -132.29 107.21 8.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 5.6600000000000001 110.96 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.74 150.74 40.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 2.8999999999999999 111.021 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.37 170.22 3.94 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 3.8500000000000001 109.267 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -65.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.549 1.815 . . . . 3.9500000000000002 111.008 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . -120.04 -53.12 0.26 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.458 1.099 . . . . 3.6000000000000001 111.012 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 414' ' ' TYR . . . . . 0.493 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 25.2 t80 40.0 62.96 5.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.747 . . . . 3.2599999999999998 110.955 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 415' ' ' PRO . . . . . 0.425 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -75.0 80.32 2.46 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.485 1.782 . . . . 2.1099999999999999 110.984 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . 0.493 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 19.7 mmtt -101.51 -173.4 2.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 3.5699999999999998 109.264 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.0 mt -133.07 149.89 52.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 3.3100000000000001 109.331 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 418' ' ' ILE . . . . . 0.52 HG21 ' CD1' ' A' ' 395' ' ' PHE . 0.9 OUTLIER -68.79 -47.12 77.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 2.8100000000000001 109.264 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 6.6 t -70.01 -25.29 63.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 2.3999999999999999 110.332 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -69.8 -64.01 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 2.48 109.293 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -51.38 -54.75 23.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 3.1200000000000001 109.331 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 422' ' ' PHE . . . . . 0.494 ' O ' ' CD1' ' A' ' 425' ' ' ILE . 43.6 m-85 -121.26 109.88 15.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 3.9100000000000001 110.972 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -98.15 71.29 2.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 2.75 110.29 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . 0.409 ' C ' HG21 ' A' ' 425' ' ' ILE . . . -160.79 24.49 0.26 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.132 . . . . 1.9099999999999999 111.006 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 425' ' ' ILE . . . . . 0.57 ' CG2' ' CZ ' ' A' ' 442' ' ' PHE . 0.2 OUTLIER -147.24 -48.18 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.503 0.767 . . . . 3.3300000000000001 109.279 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 426' ' ' GLY . . . . . 0.428 ' N ' HG12 ' A' ' 425' ' ' ILE . . . 130.34 179.67 16.22 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.453 1.095 . . . . 1.2 111.053 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -29.36 8.31 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.517 1.798 . . . . 1.5700000000000001 110.974 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.17 139.3 47.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 3.3500000000000001 109.23 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.33 167.46 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 2.6600000000000001 109.294 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 430' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 430' ' ' ASP . 0.2 OUTLIER -112.72 -50.52 2.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 2.9300000000000002 109.346 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -153.62 149.22 27.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 2.0600000000000001 109.278 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 55.9 t -138.66 135.74 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.603 1.189 . . . . 4.1299999999999999 109.285 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 433' ' ' PHE . . . . . 0.503 ' CE2' ' HB3' ' A' ' 435' ' ' SER . 11.5 t80 -153.61 176.53 11.97 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.504 1.127 . . . . 8.4600000000000009 110.978 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 434' ' ' TYR . . . . . 0.612 ' O ' ' CD2' ' A' ' 434' ' ' TYR . 16.6 p90 -128.44 60.27 1.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 8.3599999999999994 111.026 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 435' ' ' SER . . . . . 0.503 ' HB3' ' CE2' ' A' ' 433' ' ' PHE . 94.8 p -89.57 96.55 10.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 4.4299999999999997 110.005 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 436' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? 173.37 -156.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 4.46 109.296 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -87.64 -28.96 21.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 4.1100000000000003 109.277 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 438' ' ' LYS . . . . . 0.41 ' O ' ' CG ' ' A' ' 438' ' ' LYS . 0.0 OUTLIER 176.37 65.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 3.9399999999999999 109.312 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -152.44 171.0 18.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 3.2799999999999998 111.046 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -119.69 118.18 30.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 4.4400000000000004 110.977 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 441' ' ' TYR . . . . . 0.552 ' CD1' ' HG3' ' A' ' 450' ' ' GLU . 0.9 OUTLIER -107.68 129.97 54.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 3.3199999999999998 111.002 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . 0.57 ' CZ ' ' CG2' ' A' ' 425' ' ' ILE . 0.1 OUTLIER -138.16 163.37 31.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 6.3200000000000003 110.978 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 443' ' ' PHE . . . . . 0.594 ' CZ ' ' OE1' ' A' ' 448' ' ' GLN . 44.2 m-85 -123.03 123.67 41.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 5.9800000000000004 110.989 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 444' ' ' GLN . . . . . 0.418 ' O ' ' ND2' ' A' ' 447' ' ' ASN . 0.1 OUTLIER -135.41 60.05 1.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 4.8099999999999996 110.317 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 445' ' ' GLY . . . . . 0.401 ' O ' ' ND2' ' A' ' 447' ' ' ASN . . . 89.89 82.88 1.35 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.566 1.167 . . . . 3.8999999999999999 111.03 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 17.7 p 41.05 43.12 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.771 . . . . 2.3799999999999999 110.047 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 447' ' ' ASN . . . . . 0.552 ' HB3' ' CD1' ' A' ' 449' ' ' PHE . 77.7 m-20 -132.88 110.18 10.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 2.3700000000000001 109.325 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 448' ' ' GLN . . . . . 0.594 ' OE1' ' CZ ' ' A' ' 443' ' ' PHE . 6.7 tp60 -103.52 63.49 0.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 3.77 110.296 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 449' ' ' PHE . . . . . 0.552 ' CD1' ' HB3' ' A' ' 447' ' ' ASN . 8.9 m-85 -80.38 152.47 28.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 3.5899999999999999 110.973 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . 0.552 ' HG3' ' CD1' ' A' ' 441' ' ' TYR . 6.0 tt0 -116.43 163.08 16.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 3.7799999999999998 110.306 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 451' ' ' TYR . . . . . 0.49 ' CE1' ' HA ' ' A' ' 456' ' ' GLN . 2.1 t80 -145.47 137.26 25.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 3.9100000000000001 110.926 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -107.0 137.59 44.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 4.1900000000000004 109.315 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -89.07 8.14 31.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 6.0999999999999996 110.985 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 28.7 tp -107.85 -15.98 14.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 5.8899999999999997 109.337 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.448 ' O ' ' CB ' ' A' ' 456' ' ' GLN . 67.6 mt -133.65 -44.35 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 5.2699999999999996 109.28 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 456' ' ' GLN . . . . . 0.49 ' HA ' ' CE1' ' A' ' 451' ' ' TYR . 1.5 mt-30 82.43 34.79 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 4.1799999999999997 110.331 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -117.34 178.56 4.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 4.6900000000000004 110.358 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 71.3 mt -113.33 114.52 47.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 2.4900000000000002 109.281 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 12.2 p -114.21 12.7 17.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 3.96 110.444 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -146.79 125.07 12.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 3.8199999999999998 109.279 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 461' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 461' ' ' THR . 1.4 m -141.94 59.57 1.48 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.469 1.106 . . . . 3.3999999999999999 110.395 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 462' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 466' ' ' SER . 2.0 pt? -106.52 161.42 14.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 3.0699999999999998 109.29 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -90.73 150.83 21.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 5.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -42.25 -37.32 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 2.7000000000000002 110.035 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 49.4 p30 -87.63 59.64 5.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 3.7599999999999998 109.284 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 466' ' ' SER . . . . . 0.542 ' O ' ' CG ' ' A' ' 467' ' ' TRP . 22.7 t -139.87 50.57 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 3.3599999999999999 109.999 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 467' ' ' TRP . . . . . 0.542 ' CG ' ' O ' ' A' ' 466' ' ' SER . 50.2 m95 -164.65 -44.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 4.8799999999999999 107.994 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 468' ' ' PHE . . . . . 0.616 ' CD1' ' CG2' ' A' ' 316' ' ' THR . 9.2 m-85 -69.62 -30.0 67.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 7.7199999999999998 110.988 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 109.79 61.76 0.51 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.492 1.12 . . . . 3.0299999999999998 111.044 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 470' ' ' CYS . . . . . 1.151 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 N-CA-C 108.315 -0.994 . . . . 3.2599999999999998 108.315 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 281' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 282' ' ' CYS . 21.9 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.262 -0.644 . . . . 3.3399999999999999 109.262 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 282' ' ' CYS . . . . . 1.058 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 0.8 OUTLIER 160.95 48.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 3.1000000000000001 108.32 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -175.47 130.33 0.41 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 3.1899999999999999 109.319 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 84.71 1.62 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.458 1.767 . . . . 2.02 111.0 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -170.47 32.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 3.1800000000000002 109.319 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 286' ' ' LEU . . . . . 0.506 ' CD1' ' CH2' ' A' ' 307' ' ' TRP . 0.3 OUTLIER -101.22 127.08 47.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 3.9100000000000001 109.309 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.77 178.11 4.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.12 . . . . 4.0199999999999996 109.995 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 288' ' ' PHE . . . . . 0.449 ' CD2' ' CD1' ' A' ' 443' ' ' PHE . 51.4 m-85 -147.06 143.85 28.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 3.1299999999999999 111.044 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.2 -64.99 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 2.7400000000000002 109.3 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -132.26 139.89 48.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 1.9199999999999999 109.307 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 291' ' ' VAL . . . . . . . . . . . . . 2.8 p -147.34 140.32 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 3.5299999999999998 109.278 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 292' ' ' THR . . . . . 0.454 ' HB ' ' CB ' ' A' ' 335' ' ' ALA . 4.5 t -135.86 164.64 27.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 2.1099999999999999 110.397 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 38.5 p -120.0 131.67 55.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 4.1399999999999997 110.431 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 47.4 t -117.86 71.6 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 2.48 109.307 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 89.22 -101.97 2.83 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.428 1.08 . . . . 2.2000000000000002 111.035 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -113.87 10.78 17.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 3.77 109.331 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.39 178.0 4.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 4.1200000000000001 109.307 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 298' ' ' ILE . . . . . 0.441 ' C ' ' CD1' ' A' ' 299' ' ' PHE . 2.2 pt -143.93 151.35 16.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 2.48 109.305 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 299' ' ' PHE . . . . . 0.541 ' CE2' HD23 ' A' ' 308' ' ' LEU . 16.9 m-85 -140.11 142.6 36.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 4.1200000000000001 111.04 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 300' ' ' PHE . . . . . 0.437 ' CD1' ' N ' ' A' ' 300' ' ' PHE . 4.6 m-85 -130.23 136.53 49.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 3.9199999999999999 110.953 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 301' ' ' PHE . . . . . 0.573 ' CE2' HG13 ' A' ' 332' ' ' ILE . 69.7 m-85 -107.61 60.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 3.9300000000000002 111.005 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 302' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 301' ' ' PHE . 0.1 OUTLIER -36.16 -76.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 4.2400000000000002 109.305 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.67 -77.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 3.8500000000000001 109.297 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.17 -13.16 14.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 6.7000000000000002 110.332 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -114.65 156.03 25.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 3.2799999999999998 111.003 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 306' ' ' PHE . . . . . 0.587 ' CD1' ' O ' ' A' ' 306' ' ' PHE . 11.0 p90 -120.69 133.18 55.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 2.3300000000000001 111.013 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 307' ' ' TRP . . . . . 0.573 ' CZ3' ' CE1' ' A' ' 468' ' ' PHE . 22.0 m0 -88.49 135.26 33.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 6.2999999999999998 108.006 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . 0.541 HD23 ' CE2' ' A' ' 299' ' ' PHE . 0.4 OUTLIER -135.79 88.3 2.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 3.02 109.306 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 309' ' ' LYS . . . . . 0.477 ' CE ' ' HA ' ' A' ' 468' ' ' PHE . 1.3 ttpt -132.5 106.28 7.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 4.1299999999999999 109.296 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 310' ' ' VAL . . . . . 0.426 ' O ' ' HB3' ' A' ' 311' ' ' SER . 13.8 p -175.72 170.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 3.04 109.3 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 311' ' ' SER . . . . . 0.426 ' HB3' ' O ' ' A' ' 310' ' ' VAL . 46.8 t 68.17 -80.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 4.7199999999999998 109.991 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 312' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 314' ' ' PRO . 11.6 mm-40 -126.48 -43.11 1.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 4.3600000000000003 110.311 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 313' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 312' ' ' GLU . 13.3 mtt85 -36.4 97.42 0.13 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 5.0199999999999996 110.28 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 314' ' ' PRO . . . . . 0.438 ' N ' ' O ' ' A' ' 312' ' ' GLU . 18.3 Cg_endo -74.96 -25.05 12.3 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 3.6800000000000002 110.978 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -116.74 144.08 44.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 3.5099999999999998 109.3 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 316' ' ' THR . . . . . 0.449 HG21 ' CE ' ' A' ' 309' ' ' LYS . 18.8 p -75.14 165.04 25.84 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.531 1.145 . . . . 1.96 110.409 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.05 166.8 12.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 2.5899999999999999 109.984 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 73.4 t -144.38 68.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 2.6099999999999999 109.309 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -107.72 173.35 6.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 2.3199999999999998 109.314 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.33 153.2 20.08 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.486 1.116 . . . . 2.7200000000000002 109.251 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 321' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 322' ' ' SER . 1.8 mt -69.85 -75.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 2.02 109.273 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 322' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 321' ' ' ILE . 14.9 m -37.64 -41.22 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 3.0699999999999998 109.983 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.28 -33.29 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 2.7000000000000002 109.983 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.44 -80.4 0.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 2.8700000000000001 109.278 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -55.6 150.22 26.59 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 107.976 -1.12 . . . . 3.1699999999999999 107.976 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -79.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.525 1.803 . . . . 1.3799999999999999 111.019 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 327' ' ' THR . . . . . 0.46 ' O ' ' CD2' ' A' ' 328' ' ' LEU . 8.3 t -100.37 93.64 5.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 2.4199999999999999 110.38 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 328' ' ' LEU . . . . . 0.46 ' CD2' ' O ' ' A' ' 327' ' ' THR . 2.8 mm? -140.8 137.36 17.14 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 2.2799999999999998 109.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 329' ' ' PRO . . . . . 0.406 ' HD2' ' CD1' ' A' ' 328' ' ' LEU . 18.3 Cg_endo -75.03 161.82 38.07 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.499 1.789 . . . . 2.25 110.981 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 11.3 p -112.82 154.48 26.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 2.7799999999999998 110.007 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 62.23 53.57 41.31 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.475 1.109 . . . . 1.47 110.958 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.573 HG13 ' CE2' ' A' ' 301' ' ' PHE . 45.8 mm -53.46 138.34 12.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.42 0.718 . . . . 3.3500000000000001 109.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.13 -39.63 17.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.093 . . . . 3.7000000000000002 110.245 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -152.68 122.78 7.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 1.77 109.326 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . 0.454 ' CB ' ' HB ' ' A' ' 292' ' ' THR . . . -102.25 126.65 49.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 1.9099999999999999 109.375 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 336' ' ' TYR . . . . . 0.423 ' HB2' ' CB ' ' A' ' 383' ' ' ALA . 0.7 OUTLIER -142.33 99.3 3.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 4.2599999999999998 110.977 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.5 159.64 30.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 3.8900000000000001 110.318 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 338' ' ' ILE . . . . . . . . . . . . . 32.5 mt -127.73 130.44 70.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 4.1699999999999999 109.331 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -72.47 -39.09 68.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 3.96 110.335 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -60.99 -34.82 75.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 3.4500000000000002 109.263 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.54 -21.33 30.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 4.0999999999999996 110.287 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 59.48 36.19 22.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 3.25 109.218 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -129.73 179.48 5.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.586 1.178 . . . . 4.4100000000000001 110.315 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 344' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 345' ' ' PHE . 56.7 t -145.81 142.73 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 2.7599999999999998 109.308 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 345' ' ' PHE . . . . . 0.412 ' N ' HG13 ' A' ' 344' ' ' VAL . 0.2 OUTLIER -145.11 91.7 2.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 5.5199999999999996 110.918 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . 0.568 HD22 ' CZ ' ' A' ' 301' ' ' PHE . 15.9 mt -84.28 162.0 20.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 3.6699999999999999 109.308 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -121.96 140.09 52.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 3.1899999999999999 110.973 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 348' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -157.83 115.22 2.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.452 1.095 . . . . 5.3899999999999997 109.346 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 52.28 -152.15 0.26 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.577 1.173 . . . . 3.1499999999999999 109.316 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 350' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -86.23 44.46 1.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 2.9700000000000002 109.326 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -155.02 151.45 28.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 3.2799999999999998 109.301 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 352' ' ' TYR . . . . . 0.519 ' C ' ' CD1' ' A' ' 352' ' ' TYR . 3.2 p90 -139.11 146.29 40.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 4.8799999999999999 111.012 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -110.07 144.69 38.29 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.024 -1.102 . . . . 5.54 108.024 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 354' ' ' LEU . . . . . . . . . . . . . 5.2 tp -108.92 137.68 46.45 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.484 1.115 . . . . 2.8199999999999998 109.271 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 1.3 mp -131.69 90.64 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 2.6499999999999999 109.295 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 21.6 p -102.78 141.72 35.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 3.0600000000000001 110.007 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 60.89 39.97 16.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 4.3499999999999996 109.305 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 51.18 36.29 15.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 4.2699999999999996 109.249 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 12.1 mmm-85 -150.66 130.24 6.59 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.569 1.168 . . . . 5.04 110.369 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 360' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 159.01 41.91 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 1.5700000000000001 111.004 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -78.54 158.25 76.35 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 3.1499999999999999 110.297 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 362' ' ' PRO . . . . . 0.556 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.4 Cg_endo -74.96 63.67 5.97 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.504 1.792 . . . . 2.3300000000000001 111.0 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 363' ' ' ASN . . . . . 0.556 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 7.5 m-20 86.22 103.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 4.6200000000000001 109.286 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 364' ' ' TYR . . . . . 0.569 ' CD2' ' HE3' ' A' ' 366' ' ' LYS . 0.1 OUTLIER -128.18 66.06 71.49 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 3.4100000000000001 110.968 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 365' ' ' PRO . . . . . 0.419 ' HD3' ' C ' ' A' ' 363' ' ' ASN . 18.2 Cg_endo -75.03 55.37 3.94 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.456 1.766 . . . . 1.6399999999999999 111.011 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 366' ' ' LYS . . . . . 0.569 ' HE3' ' CD2' ' A' ' 364' ' ' TYR . 0.2 OUTLIER -82.78 -179.69 7.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 3.5299999999999998 109.315 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 17.0 m -144.73 138.06 26.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 2.4399999999999999 109.995 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 18.8 pt -66.74 -11.39 13.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.45 1.094 . . . . 2.48 109.292 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 369' ' ' HIS . . . . . 0.485 ' CA ' ' HB2' ' A' ' 373' ' ' PHE . 0.0 OUTLIER -70.27 -30.36 67.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 4.2599999999999998 109.559 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.87 -7.89 43.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 2.7000000000000002 110.027 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.03 8.67 40.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 6.9699999999999998 111.056 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . 143.12 -54.03 0.6 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.532 1.145 . . . . 4.2999999999999998 111.049 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 373' ' ' PHE . . . . . 0.485 ' HB2' ' CA ' ' A' ' 369' ' ' HIS . 37.7 t80 56.3 87.4 0.14 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.506 0.768 . . . . 6.0999999999999996 110.962 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 374' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.39 8.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 2.3799999999999999 111.025 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 59.59 74.99 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 8.1300000000000008 109.358 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 1.6 t80 179.32 -36.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 7.7599999999999998 110.991 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 377' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -67.46 176.56 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 2.9300000000000002 109.304 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.77 -36.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 5.5300000000000002 109.317 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -150.64 138.53 19.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 2.4900000000000002 109.326 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 11.2 mt -101.41 145.0 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.126 . . . . 1.9199999999999999 109.349 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.7 -51.78 6.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 1.8400000000000001 109.321 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -155.91 165.9 35.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 1.5900000000000001 109.203 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 383' ' ' ALA . . . . . 0.423 ' CB ' ' HB2' ' A' ' 336' ' ' TYR . . . -153.3 125.72 8.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 1.6599999999999999 109.27 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 46.9 t -149.94 159.51 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 3.9500000000000002 109.278 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -91.76 162.64 14.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 3.5 111.044 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -116.84 95.92 47.63 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 3.3799999999999999 109.319 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 387' ' ' PRO . . . . . 0.557 ' HG3' ' CE2' ' A' ' 434' ' ' TYR . 18.3 Cg_endo -74.95 49.5 2.26 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.469 1.773 . . . . 4.6299999999999999 111.054 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 388' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 387' ' ' PRO . 0.4 OUTLIER -156.96 -39.07 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 4.2300000000000004 110.347 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.07 0.41 16.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 3.8199999999999998 111.007 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 55.0 46.12 24.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 3.8700000000000001 110.966 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -140.25 152.31 45.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 3.73 110.242 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 392' ' ' THR . . . . . 0.561 HG21 ' CE2' ' A' ' 394' ' ' PHE . 21.8 m -100.74 126.83 47.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 1.9199999999999999 110.402 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -84.59 135.7 34.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 2.8999999999999999 110.999 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 394' ' ' PHE . . . . . 0.561 ' CE2' HG21 ' A' ' 392' ' ' THR . 37.5 m-85 -131.39 109.7 10.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 3.8700000000000001 111.06 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 395' ' ' PHE . . . . . 0.498 ' CD2' HG22 ' A' ' 429' ' ' ILE . 20.4 m-85 -100.76 131.99 46.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 1.8400000000000001 110.988 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 396' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 398' ' ' ASN . 86.3 t -132.95 86.86 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 2.46 109.298 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 62.77 -84.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 4.8300000000000001 109.272 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 396' ' ' VAL . 4.5 m120 -129.58 44.51 2.96 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.475 1.11 . . . . 3.9199999999999999 109.306 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.48 147.04 50.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 4.2599999999999998 110.291 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 400' ' ' TYR . . . . . 0.531 ' CE1' ' HG3' ' A' ' 402' ' ' ARG . 0.6 OUTLIER -128.65 85.95 2.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 3.8199999999999998 110.992 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -86.56 168.46 13.67 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.022 -1.103 . . . . 5.7400000000000002 108.022 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 402' ' ' ARG . . . . . 0.531 ' HG3' ' CE1' ' A' ' 400' ' ' TYR . 3.7 mtm180 -154.11 111.15 3.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 3.9500000000000002 110.279 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -90.11 130.01 36.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 5.75 111.012 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.51 123.16 27.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 2.3599999999999999 109.261 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.44 -50.01 6.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 3.1600000000000001 110.226 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -31.94 68.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 7.21 110.274 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.58 -29.14 13.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 3.21 110.274 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 67.12 43.41 2.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 3.6899999999999999 110.254 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 2.0 tpt -145.47 126.68 14.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 2.7999999999999998 111.029 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -67.27 135.48 53.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 4.1600000000000001 111.004 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.79 133.33 86.54 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 2.3799999999999999 109.271 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 412' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 413' ' ' GLY . 18.7 Cg_endo -74.97 118.62 5.33 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.803 . . . . 2.6899999999999999 111.022 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 413' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 412' ' ' PRO . . . 41.92 94.37 0.01 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.491 1.12 . . . . 1.99 110.95 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 414' ' ' TYR . . . . . 0.548 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 1.8 t80 -135.62 63.2 52.61 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 2.2999999999999998 110.992 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 415' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.5 Cg_endo -74.96 77.32 3.14 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.545 1.813 . . . . 1.8799999999999999 111.003 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . 0.548 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 36.4 mmtt -96.61 173.26 7.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 3.5099999999999998 109.263 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -114.88 140.43 48.98 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.474 1.108 . . . . 3.0699999999999998 109.304 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 1.8 mp -70.07 -62.87 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 1.9099999999999999 109.323 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 419' ' ' THR . . . . . 0.41 ' HB ' ' N ' ' A' ' 427' ' ' PRO . 12.5 t -37.83 -39.51 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.437 1.085 . . . . 2.0699999999999998 110.411 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -65.43 -65.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 2.3399999999999999 109.347 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . 0.579 ' OD1' ' CE2' ' A' ' 422' ' ' PHE . 25.9 t-20 -45.67 -35.3 4.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 2.6099999999999999 109.362 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 422' ' ' PHE . . . . . 0.579 ' CE2' ' OD1' ' A' ' 421' ' ' ASN . 16.5 m-85 -150.89 117.75 5.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 4.0499999999999998 110.999 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -93.55 119.52 32.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 2.8399999999999999 110.341 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 149.64 -35.87 1.01 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.128 . . . . 1.9399999999999999 111.065 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 425' ' ' ILE . . . . . 0.434 ' CD1' ' O ' ' A' ' 422' ' ' PHE . 0.2 OUTLIER -86.7 -24.82 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.437 0.728 . . . . 3.4399999999999999 109.343 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 96.48 177.39 35.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.535 1.147 . . . . 1.22 110.966 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . 0.41 ' N ' ' HB ' ' A' ' 419' ' ' THR . 18.4 Cg_endo -74.95 -9.35 20.8 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 1.49 111.064 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.03 132.5 46.25 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.505 1.128 . . . . 5.3399999999999999 109.299 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 429' ' ' ILE . . . . . 0.498 HG22 ' CD2' ' A' ' 395' ' ' PHE . 0.1 OUTLIER -127.16 140.77 48.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 3.23 109.217 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 430' ' ' ASP . . . . . 0.415 ' N ' HD11 ' A' ' 429' ' ' ILE . 0.9 OUTLIER -80.21 -64.31 1.22 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.084 . . . . 3.3199999999999998 109.338 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 431' ' ' ALA . . . . . 0.495 ' O ' ' CD1' ' A' ' 429' ' ' ILE . . . -151.76 173.67 14.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 1.95 109.21 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.3 p -160.36 146.93 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 2.8500000000000001 109.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 433' ' ' PHE . . . . . 0.645 ' CE1' ' CZ ' ' A' ' 443' ' ' PHE . 3.7 p90 -148.23 154.95 40.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 3.79 110.998 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 434' ' ' TYR . . . . . 0.557 ' CE2' ' HG3' ' A' ' 387' ' ' PRO . 63.7 t80 -121.09 89.06 3.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 4.7699999999999996 110.996 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.81 -8.6 10.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.39 1.056 . . . . 3.1099999999999999 110.012 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 436' ' ' LYS . . . . . 0.52 ' HD3' ' CD1' ' A' ' 441' ' ' TYR . 0.0 OUTLIER -69.69 -167.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 5.9900000000000002 109.327 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -99.41 -37.01 9.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 4.2400000000000002 109.333 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 438' ' ' LYS . . . . . 0.471 ' O ' ' CD1' ' A' ' 439' ' ' TYR . 0.6 OUTLIER -161.54 46.51 0.18 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 5.7599999999999998 109.289 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 439' ' ' TYR . . . . . 0.471 ' CD1' ' O ' ' A' ' 438' ' ' LYS . 20.0 m-85 -144.81 163.34 34.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 4.3099999999999996 110.972 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 440' ' ' TYR . . . . . 0.443 ' N ' ' CD1' ' A' ' 440' ' ' TYR . 10.1 m-85 -129.2 113.39 14.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 4.6600000000000001 110.979 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 441' ' ' TYR . . . . . 0.52 ' CD1' ' HD3' ' A' ' 436' ' ' LYS . 7.2 m-85 -94.51 143.62 26.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 5.0300000000000002 110.994 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -135.13 145.62 48.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 5.0 110.971 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 443' ' ' PHE . . . . . 0.645 ' CZ ' ' CE1' ' A' ' 433' ' ' PHE . 66.2 m-85 -111.03 112.86 24.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 5.7300000000000004 110.995 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -125.86 82.2 2.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 4.2000000000000002 110.271 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 101.72 -95.59 1.36 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.139 . . . . 1.8799999999999999 110.961 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 8.8 p -141.65 44.13 1.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 0.73 . . . . 2.9700000000000002 110.021 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -144.61 141.76 29.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 3.4199999999999999 109.256 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 448' ' ' GLN . . . . . 0.427 ' NE2' ' HG ' ' A' ' 466' ' ' SER . 8.5 pt20 -129.97 71.8 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 4.5700000000000003 110.282 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 449' ' ' PHE . . . . . 0.456 ' HB2' ' CG2' ' A' ' 458' ' ' ILE . 3.8 p90 -79.26 174.12 11.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 6.4800000000000004 111.021 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . 0.477 ' HG3' ' CE1' ' A' ' 441' ' ' TYR . 40.2 tt0 -107.12 159.03 16.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 3.1899999999999999 110.298 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 451' ' ' TYR . . . . . 0.404 ' N ' ' HG2' ' A' ' 450' ' ' GLU . 16.1 t80 -137.5 128.21 27.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 4.2300000000000004 110.968 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 452' ' ' ASP . . . . . 0.4 ' CB ' ' HB2' ' A' ' 455' ' ' LEU . 75.5 m-20 -91.91 139.28 30.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.162 . . . . 3.5699999999999998 109.321 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -88.29 -22.85 23.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.393 1.058 . . . . 4.5800000000000001 111.023 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 19.5 tp -95.79 -2.05 48.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 4.71 109.231 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.4 ' HB2' ' CB ' ' A' ' 452' ' ' ASP . 4.7 mt -124.67 -42.67 2.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 4.9100000000000001 109.31 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 456' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' A' ' 455' ' ' LEU . 23.5 mt-30 77.44 17.8 1.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 3.6099999999999999 110.297 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.49 164.35 18.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 4.9400000000000004 110.266 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 458' ' ' ILE . . . . . 0.456 ' CG2' ' HB2' ' A' ' 449' ' ' PHE . 44.3 mt -98.02 112.24 29.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 2.9900000000000002 109.278 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 459' ' ' THR . . . . . 0.468 ' OG1' ' N ' ' A' ' 460' ' ' LYS . 39.0 p -69.96 -70.14 0.31 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 3.4300000000000002 110.339 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 460' ' ' LYS . . . . . 0.468 ' N ' ' OG1' ' A' ' 459' ' ' THR . 0.2 OUTLIER -110.92 147.43 34.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 6.6600000000000001 109.293 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 3.7 m -132.58 100.74 5.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 3.4900000000000002 110.409 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 462' ' ' LEU . . . . . 0.484 ' CB ' ' HB3' ' A' ' 466' ' ' SER . 1.1 mm? -84.01 179.65 7.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 4.96 109.263 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 463' ' ' LYS . . . . . 0.421 ' C ' ' N ' ' A' ' 465' ' ' ASN . 0.0 OUTLIER -121.88 74.47 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 4.0700000000000003 109.312 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 44.92 25.35 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 2.4900000000000002 110.019 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 465' ' ' ASN . . . . . 0.421 ' N ' ' C ' ' A' ' 463' ' ' LYS . 9.3 m-80 -135.13 32.98 3.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 3.9300000000000002 109.329 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 466' ' ' SER . . . . . 0.484 ' HB3' ' CB ' ' A' ' 462' ' ' LEU . 0.9 OUTLIER -100.15 33.44 2.63 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.15 . . . . 6.0599999999999996 110.026 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 467' ' ' TRP . . . . . 0.564 ' O ' ' CG ' ' A' ' 468' ' ' PHE . 4.4 m95 177.08 56.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 6.2199999999999998 108.025 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 468' ' ' PHE . . . . . 0.573 ' CE1' ' CZ3' ' A' ' 307' ' ' TRP . 86.3 m-85 -163.42 -41.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 8.2100000000000009 110.934 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 109.74 67.45 0.58 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.457 1.098 . . . . 3.4300000000000002 110.98 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 470' ' ' CYS . . . . . 1.058 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 1.1 m . . . . . 0 C--N 1.324 -0.519 0 N-CA-C 108.283 -1.006 . . . . 4.0199999999999996 108.283 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 281' ' ' LEU . . . . . 0.466 HD13 ' CG2' ' A' ' 318' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.299 -0.63 . . . . 4.5499999999999998 109.299 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 282' ' ' CYS . . . . . 1.07 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 0.5 OUTLIER 178.75 42.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 3.7400000000000002 108.382 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.83 154.26 16.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 3.4700000000000002 109.298 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 56.9 4.38 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.532 1.806 . . . . 2.9700000000000002 111.073 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -165.11 55.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 3.1899999999999999 109.244 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 10.8 tp -108.33 148.09 30.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 3.77 109.253 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 81.5 p -134.87 157.11 47.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 2.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -124.15 170.23 10.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 2.9500000000000002 111.047 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.42 -56.71 2.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 2.2599999999999998 109.261 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -138.75 172.55 12.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.9299999999999999 109.285 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 291' ' ' VAL . . . . . . . . . . . . . 8.5 m -152.65 137.71 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 3.0600000000000001 109.266 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 292' ' ' THR . . . . . 0.468 ' CB ' ' HB1' ' A' ' 335' ' ' ALA . 0.6 OUTLIER -131.65 151.29 51.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 2.6600000000000001 110.297 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 15.8 p -130.78 106.53 8.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 4.21 110.363 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 98.7 t -121.81 84.93 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 3.4500000000000002 109.291 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 85.0 -120.03 5.19 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 1.9099999999999999 111.011 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -108.01 11.3 27.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 0.756 . . . . 4.5800000000000001 109.279 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.41 145.79 31.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 3.5600000000000001 109.287 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 10.6 pt -132.44 151.52 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 2.6200000000000001 109.321 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 299' ' ' PHE . . . . . 0.524 ' CE2' ' CD2' ' A' ' 308' ' ' LEU . 33.9 m-85 -141.91 150.16 41.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 3.7400000000000002 110.97 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 300' ' ' PHE . . . . . 0.573 ' CD1' ' N ' ' A' ' 300' ' ' PHE . 0.4 OUTLIER -143.39 104.66 4.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 4.1200000000000001 111.004 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 301' ' ' PHE . . . . . 0.557 ' CD2' ' HB ' ' A' ' 332' ' ' ILE . 41.5 m-85 -81.68 155.86 25.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 3.4500000000000002 110.995 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 302' ' ' LYS . . . . . 0.443 ' HB2' ' CZ3' ' A' ' 307' ' ' TRP . 0.0 OUTLIER -127.06 -53.55 1.4 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 5.4400000000000004 109.253 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 303' ' ' ASP . . . . . 0.436 ' O ' ' HB2' ' A' ' 304' ' ' ARG . 19.5 t70 -165.3 79.76 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 4.75 109.292 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 304' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' A' ' 303' ' ' ASP . 2.8 mmt-85 80.45 -10.27 1.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 7.2999999999999998 110.35 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 305' ' ' PHE . . . . . 0.52 ' CD2' ' O ' ' A' ' 319' ' ' ASN . 8.5 m-85 -104.73 153.12 21.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 3.9399999999999999 110.966 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 306' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -121.05 146.41 46.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 2.54 110.968 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 307' ' ' TRP . . . . . 0.558 ' CZ2' HG21 ' A' ' 318' ' ' VAL . 1.3 m-90 -102.75 137.29 41.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 6.46 107.975 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . 0.524 ' CD2' ' CE2' ' A' ' 299' ' ' PHE . 1.1 tm? -137.37 105.08 5.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 3.3199999999999998 109.246 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -153.23 105.22 2.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 3.79 109.273 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 310' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 311' ' ' SER . 0.2 OUTLIER 177.81 -72.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 2.9199999999999999 109.327 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 311' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 310' ' ' VAL . 33.2 p -37.33 -82.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 7.3799999999999999 110.062 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -145.73 66.08 1.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 7.1600000000000001 110.298 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.48 128.78 23.94 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 5.8799999999999999 110.266 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -37.16 2.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 3.02 110.946 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 19.6 ttmt -139.88 163.95 31.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 5.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 23.5 p -75.47 136.86 40.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 2.73 110.409 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.94 128.84 55.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 3.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 318' ' ' VAL . . . . . 0.558 HG21 ' CZ2' ' A' ' 307' ' ' TRP . 38.1 t -96.26 73.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 2.8500000000000001 109.282 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 319' ' ' ASN . . . . . 0.52 ' O ' ' CD2' ' A' ' 305' ' ' PHE . 2.0 m120 -96.76 179.64 4.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 2.8300000000000001 109.309 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . 0.406 ' HG ' ' N ' ' A' ' 321' ' ' ILE . 10.3 tp -93.19 152.01 19.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.076 . . . . 3.2000000000000002 109.263 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 321' ' ' ILE . . . . . 0.426 HD13 ' CD1' ' A' ' 332' ' ' ILE . 42.4 mt -67.36 -62.23 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 2.2200000000000002 109.286 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.61 -26.86 0.67 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 3.9100000000000001 109.985 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.51 -41.66 61.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 1.8899999999999999 109.95 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.48 -76.29 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.594 1.184 . . . . 3.1400000000000001 109.256 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -48.79 153.04 1.54 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 2.0899999999999999 108.05 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 326' ' ' PRO . . . . . 0.475 ' HG2' ' CG ' ' A' ' 360' ' ' PRO . 18.4 Cg_endo -75.0 -79.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.475 1.776 . . . . 1.3799999999999999 110.996 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 327' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.0 96.52 4.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.42 1.075 . . . . 2.6699999999999999 110.422 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -113.03 161.72 25.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 2.4399999999999999 109.338 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -3.93 14.65 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.783 . . . . 2.75 111.006 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 330' ' ' SER . . . . . 0.565 ' O ' ' C ' ' A' ' 331' ' ' GLY . 0.9 OUTLIER 53.04 -162.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 2.8900000000000001 109.961 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . 0.565 ' C ' ' O ' ' A' ' 330' ' ' SER . . . 21.54 61.91 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.519 1.137 . . . . 1.7 110.976 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.557 ' HB ' ' CD2' ' A' ' 301' ' ' PHE . 4.1 mp -65.61 113.76 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 3.1499999999999999 109.268 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -81.92 -34.8 29.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 3.77 110.315 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -156.63 129.54 7.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 2.3300000000000001 109.252 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . 0.468 ' HB1' ' CB ' ' A' ' 292' ' ' THR . . . -109.33 149.99 28.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 2.0699999999999998 109.273 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 336' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -140.39 160.0 40.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 4.7999999999999998 110.989 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -134.44 136.39 43.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 4.79 110.23 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 338' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 340' ' ' ALA . 0.5 OUTLIER -107.91 84.69 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 5.3200000000000003 109.327 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -67.13 73.19 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 4.4699999999999998 110.299 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 340' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 338' ' ' ILE . . . -156.52 -55.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 3.21 109.35 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -112.91 10.11 18.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 5.4199999999999999 110.317 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 56.59 75.64 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 3.5600000000000001 109.353 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . 0.414 ' OE1' ' CE1' ' A' ' 345' ' ' PHE . 1.1 mt-30 -131.53 173.7 10.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 3.5600000000000001 110.314 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 344' ' ' VAL . . . . . . . . . . . . . 89.8 t -142.85 139.67 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 2.5 109.367 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 345' ' ' PHE . . . . . 0.414 ' CE1' ' OE1' ' A' ' 343' ' ' GLN . 44.0 m-85 -131.68 137.32 48.25 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.542 1.151 . . . . 3.8300000000000001 111.036 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -123.11 120.86 34.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 2.5299999999999998 109.305 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 347' ' ' PHE . . . . . 0.503 ' CG ' HD13 ' A' ' 380' ' ' ILE . 16.5 m-85 -87.67 138.19 31.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 3.73 110.999 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 348' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.81 112.92 2.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 4.0499999999999998 109.334 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 3.2 t0 53.75 -151.0 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 3.0800000000000001 109.27 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 350' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 350' ' ' ASP . 2.5 p-10 -87.13 43.98 1.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 3.6400000000000001 109.324 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -151.31 149.41 29.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 2.4199999999999999 109.271 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 352' ' ' TYR . . . . . 0.575 ' C ' ' CD1' ' A' ' 352' ' ' TYR . 1.0 OUTLIER -130.49 154.31 47.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 5.3300000000000001 111.009 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -121.43 147.25 45.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.558 1.161 . . . . 7.6600000000000001 107.984 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 354' ' ' LEU . . . . . 0.407 HD13 ' NE2' ' A' ' 343' ' ' GLN . 1.8 tp -114.33 138.02 51.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.568 1.168 . . . . 2.7599999999999998 109.251 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 2.0 mp -132.34 103.43 6.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 2.46 109.319 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 33.0 t -111.36 136.11 50.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 2.46 109.986 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 7.8 m120 58.08 44.98 18.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 3.8500000000000001 109.306 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 53.45 36.71 23.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 4.1100000000000003 109.32 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.7 129.29 6.46 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 4.21 110.28 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 360' ' ' PRO . . . . . 0.475 ' CG ' ' HG2' ' A' ' 326' ' ' PRO . 18.4 Cg_endo -75.07 167.24 27.42 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.544 1.812 . . . . 1.77 111.003 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -76.49 159.86 78.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 2.8900000000000001 110.197 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 362' ' ' PRO . . . . . 0.56 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.0 Cg_endo -75.17 56.83 4.48 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.473 1.775 . . . . 2.3999999999999999 110.98 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 363' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 5.6 m-20 86.75 96.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 5.2800000000000002 109.371 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 364' ' ' TYR . . . . . 0.555 ' CD2' ' HE3' ' A' ' 366' ' ' LYS . 0.1 OUTLIER -127.99 64.82 66.94 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.375 1.047 . . . . 3.23 111.005 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 365' ' ' PRO . . . . . 0.442 ' HD3' ' C ' ' A' ' 363' ' ' ASN . 18.3 Cg_endo -74.98 54.33 3.6 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.472 1.775 . . . . 1.9399999999999999 110.983 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 366' ' ' LYS . . . . . 0.555 ' HE3' ' CD2' ' A' ' 364' ' ' TYR . 0.1 OUTLIER -84.48 179.28 7.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.098 . . . . 3.5699999999999998 109.284 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 5.0 m -136.15 132.77 36.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 2.4900000000000002 109.967 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 39.0 pt -57.23 -25.19 22.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 3.3399999999999999 109.254 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -69.55 -26.57 64.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 4.7599999999999998 109.662 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.6 -9.85 39.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 2.7999999999999998 110.009 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -153.5 39.51 0.5 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.49 1.119 . . . . 8.4800000000000004 111.051 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 372' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -145.25 -67.11 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.498 1.124 . . . . 3.0499999999999998 111.011 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 373' ' ' PHE . . . . . 0.455 ' N ' ' HD3' ' A' ' 374' ' ' PRO . 1.3 t80 35.57 60.68 2.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.528 0.781 . . . . 6.5800000000000001 110.968 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 374' ' ' PRO . . . . . 0.455 ' HD3' ' N ' ' A' ' 373' ' ' PHE . 18.5 Cg_endo -74.87 -88.01 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.553 1.818 . . . . 3.5 110.973 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -135.95 -46.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 7.3200000000000003 109.227 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -171.32 84.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 5.9100000000000001 111.045 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 377' ' ' VAL . . . . . 0.431 ' CG1' ' HG2' ' A' ' 374' ' ' PRO . 11.4 m -109.03 169.19 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 3.75 109.284 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.84 -34.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 3.5099999999999998 109.254 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.91 126.09 16.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 2.6800000000000002 109.265 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 380' ' ' ILE . . . . . 0.503 HD13 ' CG ' ' A' ' 347' ' ' PHE . 38.9 mt -98.22 141.86 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 2.1200000000000001 109.271 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -87.02 -48.46 8.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 2.1000000000000001 109.377 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -158.6 169.74 23.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 1.6899999999999999 109.27 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -160.11 128.02 4.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.586 1.179 . . . . 1.78 109.254 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 8.7 p -130.48 166.55 27.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 3.0299999999999998 109.285 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -117.19 131.72 56.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 2.3799999999999999 110.945 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -93.51 121.56 64.64 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 2.9199999999999999 109.318 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -43.65 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.538 1.81 . . . . 2.77 111.004 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.2 44.43 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 3.4900000000000002 110.259 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 389' ' ' PHE . . . . . 0.565 ' C ' ' CG ' ' A' ' 390' ' ' TYR . 0.1 OUTLIER -172.69 -37.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.588 1.18 . . . . 4.5700000000000003 111.065 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 390' ' ' TYR . . . . . 0.565 ' CG ' ' C ' ' A' ' 389' ' ' PHE . 3.0 m-85 72.33 39.79 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 3.23 110.964 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -132.1 145.8 51.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 3.6600000000000001 110.355 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 29.5 m -102.47 114.17 28.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 1.5800000000000001 110.419 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . 0.525 ' CE2' ' OH ' ' A' ' 400' ' ' TYR . 13.0 m-85 -79.66 117.08 20.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 3.0499999999999998 110.96 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -102.4 127.69 49.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 3.2999999999999998 111.057 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -106.07 113.9 27.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 1.6499999999999999 110.909 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 93.6 t -134.8 122.64 38.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.147 . . . . 2.8500000000000001 109.329 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 52.8 -151.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.406 1.066 . . . . 3.6400000000000001 109.224 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -87.72 49.21 1.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 3.6099999999999999 109.271 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -148.06 163.16 37.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 3.6400000000000001 110.27 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 400' ' ' TYR . . . . . 0.545 ' CD1' ' C ' ' A' ' 400' ' ' TYR . 0.1 OUTLIER -132.27 120.13 21.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 3.3399999999999999 111.001 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 6.0 m-90 -113.2 164.52 13.42 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.933 -1.136 . . . . 6.4000000000000004 107.933 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -146.51 126.99 14.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 3.9300000000000002 110.355 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -101.09 147.26 26.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 6.7000000000000002 110.969 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.51 127.52 39.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 1.8200000000000001 109.362 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.52 -50.59 4.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 3.54 110.32 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -65.03 -28.97 69.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 7.6799999999999997 110.242 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 407' ' ' ARG . . . . . 0.428 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 1.5 mmt85 -91.7 -44.67 8.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 4.0300000000000002 110.242 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . 0.428 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 14.8 tt0 81.0 39.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.085 . . . . 2.8300000000000001 110.334 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 4.5 tpt -144.69 111.16 5.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 4.4699999999999998 110.949 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.0 139.21 54.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 5.9699999999999998 110.952 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -94.33 112.09 56.18 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 3.9399999999999999 109.277 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -55.82 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.468 1.773 . . . . 5.6100000000000003 111.008 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . -74.16 64.16 2.04 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.501 1.125 . . . . 2.2200000000000002 111.039 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 414' ' ' TYR . . . . . 0.553 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 1.9 t80 -136.29 61.67 40.18 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.431 0.724 . . . . 3.4300000000000002 111.024 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 415' ' ' PRO . . . . . 0.452 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -74.95 67.87 5.81 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.54 1.811 . . . . 1.76 111.002 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . 0.553 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 18.0 mmtt -87.66 173.51 8.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 3.4100000000000001 109.333 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.98 153.86 39.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 2.9900000000000002 109.332 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 4.4 mp -69.95 -51.78 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.594 1.184 . . . . 2.52 109.293 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 17.2 m -57.28 -49.17 76.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 3.7000000000000002 110.439 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -50.24 -66.17 0.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 3.5899999999999999 109.3 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . 0.508 ' OD1' ' CE2' ' A' ' 422' ' ' PHE . 11.4 t-20 -42.01 -53.51 3.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 2.7799999999999998 109.284 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 422' ' ' PHE . . . . . 0.553 ' HB3' ' CE2' ' A' ' 451' ' ' TYR . 51.1 m-85 -131.67 99.64 4.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 4.0099999999999998 111.01 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -78.7 110.75 14.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 3.0699999999999998 110.25 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . 0.49 ' HA3' ' CD1' ' A' ' 458' ' ' ILE . . . 131.6 41.76 0.2 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.558 1.161 . . . . 2.6499999999999999 110.946 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 425' ' ' ILE . . . . . 0.442 ' CD1' ' HB2' ' A' ' 422' ' ' PHE . 1.4 pt -147.16 -58.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.583 0.814 . . . . 3.54 109.304 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 143.5 164.32 10.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.434 1.084 . . . . 1.21 110.972 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -24.49 12.69 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.45 1.763 . . . . 1.3 110.983 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.7 141.35 48.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 3.2200000000000002 109.29 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 1.5 mm -134.17 141.27 44.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 3.48 109.272 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.99 -71.06 0.71 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 2.3100000000000001 109.307 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -123.7 144.21 49.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 2.4199999999999999 109.36 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.646 ' CG2' ' CE1' ' A' ' 442' ' ' PHE . 2.5 p -160.07 108.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 3.1899999999999999 109.308 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -118.26 166.95 12.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 3.6099999999999999 111.015 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 434' ' ' TYR . . . . . 0.428 ' O ' ' CD2' ' A' ' 434' ' ' TYR . 90.2 t80 -127.33 79.11 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 4.6600000000000001 111.02 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.72 -18.67 13.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 2.3500000000000001 109.964 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 436' ' ' LYS . . . . . 0.561 ' HE3' ' CE2' ' A' ' 441' ' ' TYR . 31.9 mmtt -71.3 -152.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 6.1799999999999997 109.306 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 437' ' ' ASN . . . . . 0.45 ' O ' ' CD2' ' A' ' 439' ' ' TYR . 21.5 t-20 -123.25 114.91 20.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 4.7699999999999996 109.268 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.96 29.48 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.074 . . . . 3.6600000000000001 109.319 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 439' ' ' TYR . . . . . 0.45 ' CD2' ' O ' ' A' ' 437' ' ' ASN . 11.8 m-85 -131.04 144.76 51.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 3.1800000000000002 111.0 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -118.87 127.86 53.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 4.5700000000000003 110.968 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 441' ' ' TYR . . . . . 0.561 ' CE2' ' HE3' ' A' ' 436' ' ' LYS . 3.4 m-30 -105.53 127.1 52.83 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.452 1.095 . . . . 3.8900000000000001 111.021 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . 0.646 ' CE1' ' CG2' ' A' ' 432' ' ' VAL . 24.9 m-85 -124.12 140.42 52.98 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.122 . . . . 4.1600000000000001 111.06 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 443' ' ' PHE . . . . . 0.552 ' C ' ' CD1' ' A' ' 443' ' ' PHE . 0.1 OUTLIER -142.18 141.01 32.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 6.7199999999999998 110.986 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -152.39 69.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 4.9699999999999998 110.314 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 137.67 -89.7 0.21 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.539 1.149 . . . . 1.77 111.024 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 3.8 t -150.58 40.22 0.75 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.546 0.792 . . . . 2.73 109.959 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -148.45 142.85 26.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 2.3599999999999999 109.284 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -121.37 97.06 5.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 3.2000000000000002 110.297 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -87.23 151.62 23.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 4.2199999999999998 110.957 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . 0.401 ' HG2' ' N ' ' A' ' 451' ' ' TYR . 20.3 tt0 -117.56 143.65 45.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 3.4300000000000002 110.27 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 451' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 422' ' ' PHE . 1.2 t80 -121.63 113.19 19.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 4.04 111.008 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -97.21 106.63 19.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 3.48 109.377 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -55.47 -17.09 4.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 4.5999999999999996 110.966 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 41.9 tp -41.3 -44.49 2.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 3.2999999999999998 109.271 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -164.92 30.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 3.3500000000000001 109.352 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 456' ' ' GLN . . . . . 0.45 ' HA ' ' CE1' ' A' ' 451' ' ' TYR . 3.4 mt-30 45.7 75.78 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 3.5299999999999998 110.302 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -136.82 121.42 18.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 5.8099999999999996 110.346 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 458' ' ' ILE . . . . . 0.49 ' CD1' ' HA3' ' A' ' 424' ' ' GLY . 3.0 mp -91.83 88.2 2.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 3.4399999999999999 109.304 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 9.5 t -113.25 44.4 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 4.9400000000000004 110.363 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.46 116.71 2.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 5.0800000000000001 109.31 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 54.8 m -138.86 79.71 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 3.6299999999999999 110.392 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -97.18 161.3 13.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 3.27 109.316 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.75 146.51 24.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 3.8100000000000001 109.359 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 24.5 p -40.44 -42.51 1.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 1.97 109.997 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -99.34 72.99 1.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.402 1.064 . . . . 2.9100000000000001 109.364 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 4.2 t -120.37 -7.2 9.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 3.23 109.979 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 467' ' ' TRP . . . . . 0.424 ' O ' ' C ' ' A' ' 468' ' ' PHE . 9.6 m95 -122.05 -70.18 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 5.3600000000000003 108.025 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 468' ' ' PHE . . . . . 0.424 ' C ' ' O ' ' A' ' 467' ' ' TRP . 18.4 m-85 -35.84 -50.6 0.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 9.4600000000000009 110.932 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . 0.416 ' O ' ' SG ' ' A' ' 470' ' ' CYS . . . 104.58 51.83 0.89 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.512 1.132 . . . . 3.25 110.985 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 470' ' ' CYS . . . . . 1.07 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 1.5 p . . . . . 0 C--N 1.324 -0.506 0 N-CA-C 108.265 -1.013 . . . . 7.8700000000000001 108.265 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 281' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.314 -0.625 . . . . 3.6699999999999999 109.314 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 282' ' ' CYS . . . . . 1.055 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 0.1 OUTLIER -171.79 -60.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 4.1100000000000003 108.241 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 283' ' ' ASP . . . . . 0.437 ' O ' ' ND2' ' A' ' 285' ' ' ASN . 0.9 OUTLIER -69.14 146.88 97.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 3.6899999999999999 109.29 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 84.68 1.62 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.562 1.822 . . . . 1.8100000000000001 111.032 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 285' ' ' ASN . . . . . 0.495 ' ND2' ' N ' ' A' ' 285' ' ' ASN . 0.1 OUTLIER -167.19 32.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 2.8900000000000001 109.289 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -106.53 139.26 41.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 4.9000000000000004 109.297 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 2.2 p -123.26 153.33 40.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 2.6600000000000001 109.971 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 288' ' ' PHE . . . . . 0.543 ' CE2' ' CE2' ' A' ' 443' ' ' PHE . 18.5 m-85 -112.88 171.43 7.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 3.5099999999999998 111.022 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -145.23 -57.1 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 4.0899999999999999 109.274 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -126.51 122.02 33.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 2.5800000000000001 109.264 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 291' ' ' VAL . . . . . . . . . . . . . 63.2 t -131.21 134.25 61.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 3.1400000000000001 109.333 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 10.1 t -151.23 168.87 23.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 2.04 110.352 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 293' ' ' THR . . . . . 0.434 HG21 ' CB ' ' A' ' 435' ' ' SER . 22.7 p -122.64 166.66 14.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 3.2999999999999998 110.444 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 87.6 t -146.33 61.53 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.587 1.179 . . . . 2.7999999999999998 109.346 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 295' ' ' GLY . . . . . 0.475 ' O ' ' CB ' ' A' ' 296' ' ' ASN . . . 64.73 71.54 0.85 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.544 1.152 . . . . 3.0699999999999998 110.97 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 296' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 295' ' ' GLY . 1.9 t30 80.05 -2.93 1.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 3.6600000000000001 109.292 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . 0.499 ' CG ' HG21 ' A' ' 310' ' ' VAL . 3.5 mtpp -103.53 162.0 13.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 3.7799999999999998 109.34 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 298' ' ' ILE . . . . . 0.561 HG23 ' CE1' ' A' ' 300' ' ' PHE . 5.2 mt -140.2 157.01 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 3.48 109.364 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 299' ' ' PHE . . . . . 0.574 ' CE1' HD23 ' A' ' 308' ' ' LEU . 63.2 m-85 -151.37 114.21 4.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 3.4100000000000001 110.99 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 300' ' ' PHE . . . . . 0.561 ' CE1' HG23 ' A' ' 298' ' ' ILE . 21.8 m-85 -110.45 152.62 26.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 4.1500000000000004 111.001 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 301' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 301' ' ' PHE . 4.8 m-85 -136.96 163.58 30.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 4.54 110.993 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 302' ' ' LYS . . . . . 0.496 ' HG3' ' CH2' ' A' ' 307' ' ' TRP . 0.9 OUTLIER -147.14 96.4 2.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 3.5299999999999998 109.32 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.21 -82.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.417 1.073 . . . . 3.4100000000000001 109.286 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.3 -12.81 7.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 6.8399999999999999 110.303 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.4 130.76 35.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 4.7599999999999998 111.054 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 306' ' ' PHE . . . . . 0.537 ' CD2' ' ND2' ' A' ' 319' ' ' ASN . 0.9 OUTLIER -112.37 106.55 15.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 4.9699999999999998 110.952 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 307' ' ' TRP . . . . . 0.496 ' CH2' ' HG3' ' A' ' 302' ' ' LYS . 26.2 m0 -95.99 169.9 9.66 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.973 -1.121 . . . . 4.8200000000000003 107.973 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . 0.574 HD23 ' CE1' ' A' ' 299' ' ' PHE . 2.2 tm? -149.97 129.39 12.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 2.6899999999999999 109.353 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 309' ' ' LYS . . . . . 0.44 ' NZ ' ' O ' ' A' ' 313' ' ' ARG . 4.7 tmtt? -139.19 128.18 23.69 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 4.04 109.335 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 310' ' ' VAL . . . . . 0.499 HG21 ' CG ' ' A' ' 297' ' ' LYS . 5.3 p -153.98 176.56 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 3.6099999999999999 109.271 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 311' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 310' ' ' VAL . 46.8 t 35.97 -153.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 4.8200000000000003 110.005 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 312' ' ' GLU . . . . . 0.537 ' O ' ' C ' ' A' ' 313' ' ' ARG . 5.3 pt-20 -90.95 13.93 15.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 6.71 110.249 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 313' ' ' ARG . . . . . 0.537 ' C ' ' O ' ' A' ' 312' ' ' GLU . 0.1 OUTLIER -27.56 120.53 0.25 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 5.5599999999999996 110.284 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 2.47 6.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.452 1.764 . . . . 3.6699999999999999 110.969 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -162.11 160.44 27.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 4.4299999999999997 109.309 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 7.1 p -107.41 151.57 25.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 2.3999999999999999 110.438 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 22.8 t -83.69 160.34 21.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 3.7400000000000002 110.03 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 5.6 t -131.48 79.14 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 3.9199999999999999 109.305 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 319' ' ' ASN . . . . . 0.537 ' ND2' ' CD2' ' A' ' 306' ' ' PHE . 4.4 p-10 -111.49 -176.89 3.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 6.7999999999999998 109.27 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.06 160.21 24.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 3.2799999999999998 109.27 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 321' ' ' ILE . . . . . . . . . . . . . 1.9 mp -59.44 -81.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 2.3799999999999999 109.307 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 322' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 323' ' ' SER . 9.4 p -41.86 -34.92 0.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 2.9100000000000001 109.952 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 323' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 322' ' ' SER . 0.1 OUTLIER -37.28 -46.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 2.1099999999999999 110.02 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 1.9 mp -107.43 -66.75 1.0 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.433 1.083 . . . . 2.79 109.283 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -52.13 144.57 20.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 2.0 108.057 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -88.65 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.518 1.799 . . . . 1.22 110.954 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 327' ' ' THR . . . . . . . . . . . . . 3.3 t -101.2 95.3 6.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.168 . . . . 2.3700000000000001 110.412 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -141.46 144.08 32.39 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 3.1299999999999999 109.3 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 162.65 36.69 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.592 1.838 . . . . 1.8100000000000001 111.044 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 3.2 p -102.42 144.49 30.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.624 1.203 . . . . 3.0600000000000001 109.979 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 73.55 60.69 3.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.457 1.098 . . . . 1.3500000000000001 111.054 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 25.8 mt -53.25 139.2 11.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 2.8100000000000001 109.306 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -82.3 -51.56 7.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.073 . . . . 2.6699999999999999 110.286 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -144.73 115.32 7.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 1.7 109.297 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -104.25 124.42 49.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 2.0299999999999998 109.328 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 336' ' ' TYR . . . . . 0.63 ' CZ ' ' CB ' ' A' ' 345' ' ' PHE . 23.4 p90 -136.76 -179.81 5.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.441 1.088 . . . . 5.8499999999999996 110.982 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.75 152.92 47.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 3.8500000000000001 110.275 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 338' ' ' ILE . . . . . 0.435 HD13 ' CE1' ' A' ' 345' ' ' PHE . 98.1 mt -112.32 88.49 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 5.5 109.307 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.17 66.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 3.7999999999999998 110.355 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 340' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 338' ' ' ILE . . . -139.42 -68.37 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 2.79 109.31 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -110.4 16.3 21.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 4.0700000000000003 110.291 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 4.3 t30 59.91 80.57 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 3.02 109.298 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -131.82 174.65 9.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 3.7599999999999998 110.301 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 344' ' ' VAL . . . . . 0.471 ' O ' ' CD1' ' A' ' 345' ' ' PHE . 74.3 t -139.56 154.73 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 2.3100000000000001 109.313 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 345' ' ' PHE . . . . . 0.63 ' CB ' ' CZ ' ' A' ' 336' ' ' TYR . 52.8 m-85 -153.26 140.84 19.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 4.1299999999999999 110.945 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 9.1 mt -133.08 109.06 9.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 4.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 347' ' ' PHE . . . . . 0.515 ' CE2' ' CE1' ' A' ' 336' ' ' TYR . 13.4 m-85 -80.71 145.97 31.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 2.98 110.979 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 348' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.0 OUTLIER -163.51 121.31 1.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.421 1.076 . . . . 4.0099999999999998 109.29 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.8 t0 55.15 -151.84 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 3.1200000000000001 109.298 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 350' ' ' ASP . . . . . 0.437 ' O ' ' CG ' ' A' ' 350' ' ' ASP . 2.1 p-10 -86.09 41.77 0.94 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.461 1.101 . . . . 2.7000000000000002 109.312 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 19.7 mtmt -155.37 150.09 26.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 2.2999999999999998 109.285 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 352' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 366' ' ' LYS . 51.0 p90 -145.5 125.65 13.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.401 1.063 . . . . 4.2599999999999998 110.988 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -90.45 155.75 18.7 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.941 -1.133 . . . . 5.1799999999999997 107.941 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 354' ' ' LEU . . . . . 0.446 ' HB2' ' CE2' ' A' ' 345' ' ' PHE . 0.1 OUTLIER -117.9 126.66 52.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 2.7000000000000002 109.244 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . 0.445 ' CG2' ' HB ' ' A' ' 344' ' ' VAL . 1.2 mp -96.44 98.9 8.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 2.4399999999999999 109.294 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 45.6 t -100.71 118.82 37.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 2.1600000000000001 110.03 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 60.29 45.97 10.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.097 . . . . 4.1799999999999997 109.247 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.66 33.76 23.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 3.77 109.267 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.81 116.57 5.32 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 5.8399999999999999 110.278 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 360' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 361' ' ' GLU . 18.4 Cg_endo -74.94 108.06 2.63 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.433 1.754 . . . . 1.9299999999999999 111.084 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 361' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 360' ' ' PRO . 21.6 mm-40 -38.36 123.01 1.11 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 2.4199999999999999 110.377 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 135.38 19.05 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.532 1.806 . . . . 2.54 111.022 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 363' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 64.67 60.76 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 4.25 109.319 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 364' ' ' TYR . . . . . 0.565 ' CE2' ' HD3' ' A' ' 366' ' ' LYS . 0.1 OUTLIER -134.46 59.05 33.85 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 3.3199999999999998 111.045 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 365' ' ' PRO . . . . . 0.488 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -75.06 51.96 2.95 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.516 1.798 . . . . 1.48 110.996 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 366' ' ' LYS . . . . . 0.567 ' HB3' ' CE1' ' A' ' 352' ' ' TYR . 0.1 OUTLIER -57.28 158.3 5.56 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 2.52 109.31 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 2.0 m -135.96 130.68 34.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 2.0699999999999998 110.0 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 368' ' ' ILE . . . . . 0.448 HD11 ' CG1' ' A' ' 377' ' ' VAL . 43.9 pt -54.16 -32.57 23.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.407 1.067 . . . . 2.5699999999999998 109.273 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -33.26 74.67 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.535 1.147 . . . . 3.8700000000000001 109.542 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 370' ' ' SER . . . . . 0.505 ' O ' ' CG ' ' A' ' 371' ' ' PHE . 0.1 OUTLIER -56.43 -17.27 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 2.6099999999999999 109.987 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 371' ' ' PHE . . . . . 0.505 ' CG ' ' O ' ' A' ' 370' ' ' SER . 88.5 m-85 -162.91 53.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 8.4199999999999999 110.959 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . -151.38 -59.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.517 1.136 . . . . 3.02 111.049 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 373' ' ' PHE . . . . . 0.441 ' N ' ' HD3' ' A' ' 374' ' ' PRO . 2.1 t80 49.4 61.48 13.82 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.496 0.762 . . . . 8.0899999999999999 110.927 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 374' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' A' ' 373' ' ' PHE . 18.0 Cg_endo -74.96 -163.14 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.485 1.782 . . . . 2.8799999999999999 111.055 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -85.2 -45.74 11.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 7.2800000000000002 109.298 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -168.99 83.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 5.8700000000000001 111.03 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 377' ' ' VAL . . . . . 0.448 ' CG1' HD11 ' A' ' 368' ' ' ILE . 7.1 p -94.61 168.4 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 3.7200000000000002 109.287 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 378' ' ' LYS . . . . . 0.454 ' HG2' ' N ' ' A' ' 379' ' ' LYS . 0.0 OUTLIER -178.22 -35.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.148 . . . . 6.9800000000000004 109.362 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 379' ' ' LYS . . . . . 0.454 ' N ' ' HG2' ' A' ' 378' ' ' LYS . 0.0 OUTLIER -159.01 134.36 8.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 3.04 109.372 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 17.6 mt -91.71 139.51 17.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 2.1099999999999999 109.273 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.74 -53.32 6.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 2.04 109.315 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -159.2 166.88 30.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 1.9399999999999999 109.312 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -156.26 125.46 6.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 1.6499999999999999 109.319 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 12.1 p -126.94 154.29 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 3.0099999999999998 109.339 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -114.39 117.9 32.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 3.3100000000000001 110.936 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -97.49 117.6 65.26 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 4.1200000000000001 109.304 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.12 -20.39 16.68 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.5 1.79 . . . . 2.25 110.953 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -38.17 36.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.472 1.108 . . . . 3.3799999999999999 110.292 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.08 -6.53 28.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.068 . . . . 4.2699999999999996 110.936 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 47.61 43.0 15.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 6.5899999999999999 110.993 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 391' ' ' ARG . . . . . 0.461 ' CZ ' ' OD1' ' A' ' 404' ' ' ASP . 12.4 mtt180 -144.79 154.31 42.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 3.9500000000000002 110.322 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 86.0 m -110.12 118.61 36.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 2.25 110.397 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -83.33 123.76 29.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 3.7799999999999998 111.056 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -110.11 133.71 52.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 3.46 111.026 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 395' ' ' PHE . . . . . 0.57 ' CD1' HG12 ' A' ' 418' ' ' ILE . 65.7 m-85 -114.36 129.7 56.66 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.56 1.163 . . . . 1.48 111.073 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 96.5 t -118.32 87.74 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 2.5299999999999998 109.314 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.84 -70.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 4.4400000000000004 109.29 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -148.53 58.29 1.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 3.7400000000000002 109.262 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -144.46 157.29 44.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 3.6200000000000001 110.304 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 400' ' ' TYR . . . . . 0.416 ' O ' ' CG ' ' A' ' 400' ' ' TYR . 21.7 t80 -122.87 87.31 2.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 3.48 111.036 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 401' ' ' TRP . . . . . 0.573 ' CH2' ' O ' ' A' ' 411' ' ' ASP . 0.0 OUTLIER -82.76 166.91 18.66 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.996 -1.113 . . . . 7.4800000000000004 107.996 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -155.22 110.21 3.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.403 1.064 . . . . 3.4900000000000002 110.33 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 403' ' ' TYR . . . . . 0.535 ' CE1' ' O ' ' A' ' 404' ' ' ASP . 3.4 t80 -100.51 142.66 31.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 7.1100000000000003 111.018 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 404' ' ' ASP . . . . . 0.535 ' O ' ' CE1' ' A' ' 403' ' ' TYR . 0.7 OUTLIER -78.99 120.51 23.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 1.76 109.288 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -97.26 -44.12 7.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 3.0600000000000001 110.267 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.36 8.68 12.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 7.5099999999999998 110.287 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 407' ' ' ARG . . . . . 0.432 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.6 OUTLIER -131.13 -44.69 1.03 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.447 1.092 . . . . 5.7300000000000004 110.288 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . 0.432 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 0.9 OUTLIER 80.93 54.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 3.6200000000000001 110.321 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -152.65 98.28 2.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 4.2800000000000002 110.994 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.68 126.27 26.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 3.0800000000000001 111.003 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . 0.573 ' O ' ' CH2' ' A' ' 401' ' ' TRP . 1.5 m-20 -54.38 131.55 62.19 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 2.5899999999999999 109.33 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 117.02 4.77 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 2.6200000000000001 111.071 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 45.92 94.94 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.474 1.109 . . . . 2.0299999999999998 110.995 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 414' ' ' TYR . . . . . 0.542 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 2.0 t80 -132.33 62.56 63.94 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.78 . . . . 2.6299999999999999 110.981 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 415' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.4 Cg_endo -74.99 72.74 4.54 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.526 1.803 . . . . 2.1499999999999999 111.0 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . 0.542 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 3.3 mmtt -90.02 -171.46 3.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 4.0800000000000001 109.289 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 1.3 mt -138.2 144.96 40.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 3.73 109.326 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 418' ' ' ILE . . . . . 0.57 HG12 ' CD1' ' A' ' 395' ' ' PHE . 2.4 mp -69.15 -67.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 2.21 109.282 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 7.4 t -42.0 -33.18 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 2.4399999999999999 110.383 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -70.01 -69.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 3.27 109.277 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -44.86 -43.81 9.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 3.02 109.399 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 422' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -132.9 112.69 12.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 3.5299999999999998 110.973 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -86.82 121.23 29.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 3.0099999999999998 110.339 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 133.97 -29.71 3.05 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.476 1.11 . . . . 1.5900000000000001 111.019 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 425' ' ' ILE . . . . . 0.478 HG12 ' CD2' ' A' ' 442' ' ' PHE . 3.8 mp -73.37 -76.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 3.96 109.344 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 151.74 162.7 10.96 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.586 1.179 . . . . 1.1399999999999999 111.004 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -15.06 20.92 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.447 1.762 . . . . 1.29 110.96 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . 0.485 ' O ' ' CG ' ' A' ' 444' ' ' GLN . 8.3 mttt -131.79 132.63 43.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 3.8399999999999999 109.33 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.21 159.42 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 2.8599999999999999 109.326 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -107.38 -63.34 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 2.2599999999999998 109.315 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -141.54 146.49 36.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 1.6699999999999999 109.342 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 10.9 m -137.71 145.41 29.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 4.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 433' ' ' PHE . . . . . 0.566 ' CZ ' ' CB ' ' A' ' 441' ' ' TYR . 6.0 p90 -155.09 176.76 12.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 3.9199999999999999 111.068 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -146.09 88.45 1.81 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.528 1.143 . . . . 5.04 111.053 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 435' ' ' SER . . . . . 0.434 ' CB ' HG21 ' A' ' 293' ' ' THR . 0.1 OUTLIER -114.52 -12.78 12.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 3.4900000000000002 109.976 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 436' ' ' LYS . . . . . 0.507 ' HE2' ' CE1' ' A' ' 441' ' ' TYR . 28.5 mmmt -69.33 -166.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.556 1.16 . . . . 4.8700000000000001 109.297 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -96.5 -38.87 9.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 4.21 109.221 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.64 50.42 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 3.5800000000000001 109.277 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -145.99 161.7 39.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 3.46 110.99 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -124.7 105.86 9.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 4.0199999999999996 110.97 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 441' ' ' TYR . . . . . 0.566 ' CB ' ' CZ ' ' A' ' 433' ' ' PHE . 3.2 m-30 -86.43 102.56 14.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 4.4900000000000002 110.995 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . 0.478 ' CD2' HG12 ' A' ' 425' ' ' ILE . 35.9 m-85 -98.13 144.98 27.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 4.5800000000000001 111.007 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 443' ' ' PHE . . . . . 0.635 ' CE2' ' NE2' ' A' ' 448' ' ' GLN . 2.7 m-85 -120.88 118.92 31.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 4.9400000000000004 110.959 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 444' ' ' GLN . . . . . 0.485 ' CG ' ' O ' ' A' ' 428' ' ' LYS . 3.9 tm0? -133.02 77.22 1.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 4.5700000000000003 110.274 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 100.31 -106.79 3.2 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.406 1.067 . . . . 1.6899999999999999 111.004 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 27.1 p -127.7 31.57 5.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 0.735 . . . . 3.0299999999999998 110.019 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -142.42 130.44 21.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 2.5600000000000001 109.336 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 448' ' ' GLN . . . . . 0.635 ' NE2' ' CE2' ' A' ' 443' ' ' PHE . 44.8 tt0 -111.52 117.31 32.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 3.0899999999999999 110.3 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -105.02 142.91 33.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 4.2000000000000002 111.035 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -110.25 126.96 54.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 3.9300000000000002 110.316 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -108.22 121.52 45.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.386 1.054 . . . . 4.8099999999999996 110.962 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -111.59 126.46 55.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 3.0099999999999998 109.225 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -70.58 -11.72 61.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 4.4400000000000004 110.959 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 14.7 tp -43.71 -38.46 3.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 3.27 109.284 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -167.43 31.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 3.0299999999999998 109.293 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 41.25 68.04 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 3.4900000000000002 110.306 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -142.51 132.58 24.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.537 1.148 . . . . 4.2699999999999996 110.307 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 88.2 mt -94.65 82.87 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.411 1.07 . . . . 2.5899999999999999 109.275 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 10.2 t -102.22 36.01 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 4.3200000000000003 110.476 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.61 109.95 3.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.152 . . . . 4.3300000000000001 109.326 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 7.5 p -124.93 109.59 13.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 3.1400000000000001 110.454 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 462' ' ' LEU . . . . . 0.447 ' CD1' ' HB3' ' A' ' 466' ' ' SER . 1.4 pt? -131.77 155.85 47.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 3.3500000000000001 109.376 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -93.29 156.54 16.75 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.461 1.1 . . . . 3.5699999999999998 109.259 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 464' ' ' SER . . . . . 0.449 ' HB2' ' CE1' ' A' ' 443' ' ' PHE . 1.9 t -48.74 -28.01 3.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 2.25 109.949 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -100.25 58.85 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 3.52 109.299 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 466' ' ' SER . . . . . 0.447 ' HB3' ' CD1' ' A' ' 462' ' ' LEU . 11.4 t -113.56 -21.88 10.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 3.1899999999999999 110.056 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -138.96 -59.87 0.59 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.552 1.158 . . . . 5.9400000000000004 108.006 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 468' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -52.26 -61.41 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.603 1.19 . . . . 11.91 110.984 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -84.98 -82.1 1.06 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.544 1.152 . . . . 5.5300000000000002 110.995 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 470' ' ' CYS . . . . . 1.055 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 40.9 m . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 108.289 -1.004 . . . . 5.9199999999999999 108.289 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 281' ' ' LEU . . . . . . . . . . . . . 7.8 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.247 -0.649 . . . . 2.8999999999999999 109.247 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 282' ' ' CYS . . . . . 1.069 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 0.1 OUTLIER 174.94 -76.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 3.6299999999999999 108.33 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -58.94 142.37 85.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 2.7999999999999998 109.315 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.14 78.37 2.95 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.478 1.778 . . . . 2.1000000000000001 110.975 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -154.18 34.35 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 2.8100000000000001 109.313 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 286' ' ' LEU . . . . . 0.581 ' CD2' ' CZ ' ' A' ' 288' ' ' PHE . 6.4 tt -104.27 143.68 32.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 3.4700000000000002 109.314 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 73.6 p -142.34 157.05 45.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 2.4500000000000002 109.997 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 288' ' ' PHE . . . . . 0.581 ' CZ ' ' CD2' ' A' ' 286' ' ' LEU . 81.9 m-85 -127.02 151.88 48.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 4.0700000000000003 110.996 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -87.72 -50.23 6.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 2.4199999999999999 109.274 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -142.27 169.21 18.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 1.6299999999999999 109.295 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 291' ' ' VAL . . . . . 0.462 HG23 ' CD1' ' A' ' 433' ' ' PHE . 6.6 m -153.41 139.46 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 3.02 109.304 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 22.9 m -138.72 144.16 39.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 3.75 110.425 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 14.8 t -106.87 146.74 30.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 3.1299999999999999 110.444 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 92.6 t -136.39 112.26 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 3.3300000000000001 109.218 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 55.6 -94.2 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.446 1.091 . . . . 1.9299999999999999 110.993 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -128.82 29.27 5.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 0.774 . . . . 3.46 109.326 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . 0.459 ' CB ' HG11 ' A' ' 310' ' ' VAL . 3.0 mppt? -129.74 169.28 15.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 3.7999999999999998 109.341 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 1.6 pt -132.01 167.9 25.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.582 1.176 . . . . 3.0800000000000001 109.293 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -145.7 133.65 21.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 3.6299999999999999 111.002 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 300' ' ' PHE . . . . . 0.479 ' HB3' ' CE1' ' A' ' 288' ' ' PHE . 57.7 m-85 -112.14 113.9 26.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 3.54 110.986 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 301' ' ' PHE . . . . . 0.57 ' CD1' HD12 ' A' ' 321' ' ' ILE . 40.3 m-85 -84.97 132.79 34.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.46 1.1 . . . . 3.4399999999999999 111.043 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 302' ' ' LYS . . . . . 0.495 ' HG3' ' CE3' ' A' ' 307' ' ' TRP . 1.8 mmmm -131.47 72.99 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 6.1399999999999997 109.261 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 42.7 t0 67.41 -68.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 3.1499999999999999 109.303 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 304' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 302' ' ' LYS . 0.0 OUTLIER -133.08 -32.92 1.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 4.8799999999999999 110.293 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 305' ' ' PHE . . . . . 0.436 ' N ' ' HG2' ' A' ' 304' ' ' ARG . 56.5 m-85 -86.62 145.2 26.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 3.6499999999999999 111.007 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 306' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 319' ' ' ASN . 30.5 p90 -124.93 141.47 52.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 2.3300000000000001 110.951 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 307' ' ' TRP . . . . . 0.495 ' CE3' ' HG3' ' A' ' 302' ' ' LYS . 1.3 m-90 -97.9 142.64 29.39 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.981 -1.118 . . . . 5.9000000000000004 107.981 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.11 116.59 22.3 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.507 1.129 . . . . 2.9300000000000002 109.272 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -171.47 102.21 0.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.395 1.059 . . . . 4.0499999999999998 109.281 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 310' ' ' VAL . . . . . 0.459 HG11 ' CB ' ' A' ' 297' ' ' LYS . 5.5 p -172.43 163.5 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 124.437 1.086 . . . . 2.8599999999999999 109.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 24.5 t 68.71 -74.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.138 . . . . 4.1799999999999997 110.027 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -157.55 78.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 5.0999999999999996 110.305 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.43 134.58 23.43 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.632 1.207 . . . . 5.3700000000000001 110.304 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -38.79 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.559 1.82 . . . . 2.6000000000000001 110.995 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.01 159.15 44.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 4.7400000000000002 109.308 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 80.7 p -79.52 128.77 33.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 1.97 110.456 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.81 170.97 15.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 2.2999999999999998 110.02 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 19.4 t -145.59 79.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 3.1200000000000001 109.384 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 319' ' ' ASN . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 306' ' ' PHE . 2.9 m120 -110.17 176.56 5.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 2.21 109.321 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.84 120.23 40.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 2.96 109.303 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 321' ' ' ILE . . . . . 0.57 HD12 ' CD1' ' A' ' 301' ' ' PHE . 71.9 mt -42.12 -59.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 2.7799999999999998 109.268 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.24 -42.46 9.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.16 . . . . 3.5 109.984 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.88 -31.6 50.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 2.6499999999999999 110.026 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 321' ' ' ILE . 0.4 OUTLIER -94.61 -83.94 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 4.0199999999999996 109.263 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 325' ' ' TRP . . . . . 0.495 ' CE2' ' HG ' ' A' ' 328' ' ' LEU . 0.1 OUTLIER -49.2 148.61 4.21 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 107.994 -1.113 . . . . 2.4900000000000002 107.994 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 326' ' ' PRO . . . . . 0.441 ' HG2' ' CG ' ' A' ' 360' ' ' PRO . 18.4 Cg_endo -75.02 -90.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.519 1.8 . . . . 1.0800000000000001 111.002 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 327' ' ' THR . . . . . . . . . . . . . 12.7 t -92.04 -0.28 57.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 2.2999999999999998 110.343 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 328' ' ' LEU . . . . . 0.495 ' HG ' ' CE2' ' A' ' 325' ' ' TRP . 0.2 OUTLIER -62.78 132.19 94.65 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 3.1600000000000001 109.249 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 329' ' ' PRO . . . . . 0.506 ' HG3' ' CH2' ' A' ' 353' ' ' TRP . 18.2 Cg_endo -75.03 -173.23 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.508 1.794 . . . . 3.25 110.999 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 1.5 m -140.54 172.17 13.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 3.6400000000000001 110.013 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 51.3 51.04 38.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.507 1.13 . . . . 2.3700000000000001 110.98 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 2.4 mp -67.52 156.41 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 0.736 . . . . 2.7799999999999998 109.301 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -84.86 -50.28 7.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 2.7999999999999998 110.312 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -139.08 122.25 16.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 2.1000000000000001 109.282 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -138.01 144.06 40.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 2.3700000000000001 109.358 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 336' ' ' TYR . . . . . 0.503 ' CE2' ' HB2' ' A' ' 385' ' ' PHE . 3.1 p90 -155.41 133.09 11.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 4.2999999999999998 110.982 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.05 144.34 29.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 4.0 110.219 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 338' ' ' ILE . . . . . 0.452 HD12 ' CD1' ' A' ' 345' ' ' PHE . 95.4 mt -116.37 88.52 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.569 1.168 . . . . 4.5899999999999999 109.252 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.98 86.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 3.5899999999999999 110.279 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -159.28 -52.0 0.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.421 1.076 . . . . 3.0299999999999998 109.262 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -116.93 8.77 13.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 7.9000000000000004 110.309 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 64.6 t30 57.48 68.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 2.9199999999999999 109.373 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -145.09 151.56 38.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 3.0800000000000001 110.295 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 344' ' ' VAL . . . . . 0.402 HG11 ' N ' ' A' ' 345' ' ' PHE . 20.0 t -102.77 149.95 6.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.111 . . . . 2.2999999999999998 109.319 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 345' ' ' PHE . . . . . 0.452 ' CD1' HD12 ' A' ' 338' ' ' ILE . 79.8 m-85 -136.05 128.04 29.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 5.4699999999999998 111.071 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . 0.506 ' CD2' ' N ' ' A' ' 346' ' ' LEU . 0.2 OUTLIER -154.55 133.04 12.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 3.5899999999999999 109.287 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 347' ' ' PHE . . . . . 0.595 ' N ' ' CD1' ' A' ' 347' ' ' PHE . 0.3 OUTLIER -135.04 60.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 5.04 111.08 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 348' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 350' ' ' ASP . 0.2 OUTLIER -50.17 150.47 2.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 3.4700000000000002 109.221 -179.873 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 378' ' ' LYS . 1.2 m-20 44.56 -95.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 4.2000000000000002 109.371 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 350' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 348' ' ' LYS . 2.9 p30 -141.59 15.82 2.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 3.4100000000000001 109.323 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -120.78 138.18 54.15 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 3.23 109.311 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 352' ' ' TYR . . . . . 0.55 ' CB ' ' CD2' ' A' ' 347' ' ' PHE . 43.4 p90 -138.0 157.95 45.32 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.538 1.148 . . . . 4.8399999999999999 110.989 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 353' ' ' TRP . . . . . 0.506 ' CH2' ' HG3' ' A' ' 329' ' ' PRO . 5.6 m-90 -127.55 165.59 19.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 5.9500000000000002 108.052 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 354' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.05 118.39 26.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 3.1699999999999999 109.355 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . 0.455 ' CD1' HD23 ' A' ' 328' ' ' LEU . 1.9 mp -98.77 105.34 17.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 2.6400000000000001 109.261 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 356' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 359' ' ' ARG . 0.7 OUTLIER -114.89 117.21 30.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.57 1.169 . . . . 3.2999999999999998 109.95 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 28.4 t30 71.08 50.97 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 5.0499999999999998 109.302 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 51.23 23.44 1.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 3.77 109.332 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 359' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 356' ' ' SER . 0.1 OUTLIER -139.17 133.0 15.97 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 5.9400000000000004 110.345 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 360' ' ' PRO . . . . . 0.441 ' CG ' ' HG2' ' A' ' 326' ' ' PRO . 18.3 Cg_endo -75.03 176.54 9.79 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.541 1.811 . . . . 1.6499999999999999 110.944 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 361' ' ' GLU . . . . . 0.597 ' OE1' ' CE1' ' A' ' 364' ' ' TYR . 0.7 OUTLIER -80.54 152.74 73.12 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.541 1.151 . . . . 3.1200000000000001 110.342 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 362' ' ' PRO . . . . . 0.451 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.1 Cg_endo -74.97 70.01 5.38 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.481 1.78 . . . . 2.0899999999999999 110.958 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 363' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 0.7 OUTLIER 78.68 91.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 5.2699999999999996 109.267 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 364' ' ' TYR . . . . . 0.597 ' CE1' ' OE1' ' A' ' 361' ' ' GLU . 0.1 OUTLIER -125.28 67.89 56.89 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 3.6800000000000002 110.969 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 365' ' ' PRO . . . . . 0.439 ' HD3' ' C ' ' A' ' 363' ' ' ASN . 17.9 Cg_endo -75.04 56.41 4.27 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.562 1.822 . . . . 1.76 110.938 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 366' ' ' LYS . . . . . 0.574 ' HE3' ' CD1' ' A' ' 364' ' ' TYR . 18.3 mmtt -79.84 170.66 16.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 4.3399999999999999 109.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.43 133.57 31.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 2.8799999999999999 110.005 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 42.5 pt -54.02 -20.41 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 2.7799999999999998 109.274 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 369' ' ' HIS . . . . . 0.484 ' C ' ' CD2' ' A' ' 369' ' ' HIS . 0.4 OUTLIER -60.92 -14.59 23.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 4.6699999999999999 109.553 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 45.4 m -63.0 -14.36 46.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 2.5499999999999998 110.034 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 175.08 66.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 7.5199999999999996 110.985 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 372' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 374' ' ' PRO . . . -178.47 -60.77 0.07 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.547 1.154 . . . . 2.9100000000000001 110.988 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 373' ' ' PHE . . . . . 0.594 ' CZ ' ' HA ' ' A' ' 375' ' ' ASN . 25.7 t80 -35.17 95.79 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.449 0.735 . . . . 5.9299999999999997 110.966 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 374' ' ' PRO . . . . . 0.532 ' O ' ' CB ' ' A' ' 375' ' ' ASN . 18.3 Cg_endo -75.03 8.96 2.19 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.517 1.799 . . . . 2.3500000000000001 111.01 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 375' ' ' ASN . . . . . 0.594 ' HA ' ' CZ ' ' A' ' 373' ' ' PHE . 9.3 t30 84.1 29.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 7.5 109.372 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -151.94 -59.92 0.16 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 6.5499999999999998 111.031 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 377' ' ' VAL . . . . . 0.434 ' CG1' ' N ' ' A' ' 378' ' ' LYS . 84.3 t -49.68 166.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 3.5299999999999998 109.34 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 378' ' ' LYS . . . . . 0.434 ' N ' ' CG1' ' A' ' 377' ' ' VAL . 0.0 OUTLIER -175.22 -39.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 4.3399999999999999 109.246 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.44 124.56 32.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 3.4300000000000002 109.304 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 380' ' ' ILE . . . . . 0.4 HG23 ' N ' ' A' ' 381' ' ' ASP . 7.7 mt -93.09 165.48 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 1.8899999999999999 109.36 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 381' ' ' ASP . . . . . 0.4 ' N ' HG23 ' A' ' 380' ' ' ILE . 1.5 m-20 -109.4 -44.01 3.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 2.27 109.285 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 382' ' ' ALA . . . . . 0.4 ' HB3' ' CD1' ' A' ' 395' ' ' PHE . . . -156.52 163.82 38.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 2.4199999999999999 109.354 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -161.65 121.75 2.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 1.8799999999999999 109.266 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . 0.41 ' CG2' HG11 ' A' ' 432' ' ' VAL . 20.0 t -133.13 151.56 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 3.4300000000000002 109.265 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 385' ' ' PHE . . . . . 0.503 ' HB2' ' CE2' ' A' ' 336' ' ' TYR . 31.7 t80 -98.7 149.55 22.71 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.503 1.127 . . . . 2.3199999999999998 110.96 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -130.26 103.6 16.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 2.7200000000000002 109.332 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -17.31 19.73 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.782 . . . . 2.0800000000000001 111.03 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -80.3 -22.81 41.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 3.2599999999999998 110.32 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -121.05 5.23 10.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 4.7300000000000004 111.036 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 46.78 37.84 5.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.168 . . . . 3.5099999999999998 111.061 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -144.14 164.46 30.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 4.2599999999999998 110.341 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 13.9 m -125.89 130.07 50.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 2.0099999999999998 110.415 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -79.96 137.06 36.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 2.8500000000000001 110.994 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 394' ' ' PHE . . . . . 0.438 ' CD2' ' CD1' ' A' ' 403' ' ' TYR . 2.7 m-85 -120.25 100.64 7.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 3.2000000000000002 110.971 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 395' ' ' PHE . . . . . 0.4 ' CD1' ' HB3' ' A' ' 382' ' ' ALA . 91.1 m-85 -82.93 113.74 20.74 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.485 1.116 . . . . 1.8999999999999999 110.996 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 45.1 t -138.21 125.89 29.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.165 . . . . 2.5699999999999998 109.32 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 4.6 t0 51.08 -152.67 0.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 3.6800000000000002 109.286 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -87.39 50.93 2.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 3.5299999999999998 109.237 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 399' ' ' GLN . . . . . 0.447 ' HB2' ' CZ3' ' A' ' 401' ' ' TRP . 8.1 mp0 -147.09 159.55 43.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 3.8999999999999999 110.309 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 400' ' ' TYR . . . . . 0.567 ' CD1' ' C ' ' A' ' 400' ' ' TYR . 0.1 OUTLIER -117.41 94.98 4.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 4.0099999999999998 110.93 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 401' ' ' TRP . . . . . 0.447 ' CZ3' ' HB2' ' A' ' 399' ' ' GLN . 0.6 OUTLIER -92.2 156.84 17.05 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.928 -1.138 . . . . 7.3399999999999999 107.928 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -153.4 128.35 9.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 3.8100000000000001 110.305 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 403' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 410' ' ' MET . 5.2 m-85 -103.46 170.63 7.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 8.2400000000000002 110.993 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -113.65 126.3 55.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 1.71 109.27 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -82.39 -46.9 12.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 2.8199999999999998 110.312 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -63.4 -63.9 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 7.9900000000000002 110.349 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -57.96 -38.56 76.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 3.5 110.291 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 70.26 46.71 0.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 3.1400000000000001 110.285 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 8.0 tpt -152.46 114.89 4.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 3.9100000000000001 111.018 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 410' ' ' MET . . . . . 0.56 ' HB3' ' CE2' ' A' ' 403' ' ' TYR . 0.0 OUTLIER -52.39 126.24 18.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 3.1499999999999999 111.004 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -42.6 133.29 2.84 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 2.8199999999999998 109.296 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 105.82 2.16 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.519 1.799 . . . . 2.6600000000000001 110.999 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 55.44 97.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.452 1.095 . . . . 2.1099999999999999 110.999 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 414' ' ' TYR . . . . . 0.461 ' N ' ' HD3' ' A' ' 415' ' ' PRO . 1.7 t80 -137.92 60.72 25.05 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 2.5299999999999998 111.015 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 415' ' ' PRO . . . . . 0.461 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.2 Cg_endo -75.02 65.58 6.08 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 1.5800000000000001 110.988 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -89.54 -178.89 5.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 3.46 109.316 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.58 139.47 53.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 3.02 109.277 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 418' ' ' ILE . . . . . 0.416 ' CD1' ' O ' ' A' ' 399' ' ' GLN . 3.7 mt -70.21 -71.56 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 2.2400000000000002 109.298 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 6.3 t -40.66 -29.39 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.142 . . . . 2.3500000000000001 110.454 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 418' ' ' ILE . 15.1 mttt -68.5 -69.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 2.2599999999999998 109.345 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -46.79 -53.19 12.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 3.0699999999999998 109.298 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 422' ' ' PHE . . . . . 0.493 ' O ' ' CD1' ' A' ' 425' ' ' ILE . 22.1 m-85 -122.44 111.0 16.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 4.2800000000000002 111.006 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.97 69.96 1.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 3.8399999999999999 110.309 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . 0.413 ' C ' HG22 ' A' ' 425' ' ' ILE . . . -161.41 25.23 0.25 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.462 1.101 . . . . 2.1299999999999999 111.033 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 425' ' ' ILE . . . . . 0.559 ' CD1' ' N ' ' A' ' 425' ' ' ILE . 0.2 OUTLIER -147.99 -47.88 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 124.455 0.738 . . . . 3.27 109.308 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 426' ' ' GLY . . . . . 0.412 ' N ' HG12 ' A' ' 425' ' ' ILE . . . 128.82 176.09 14.3 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.496 1.122 . . . . 0.94999999999999996 111.012 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -24.91 12.27 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.541 1.811 . . . . 1.46 111.012 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -127.08 138.27 53.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 3.23 109.315 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 3.4 mp -133.88 129.37 54.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 4.0700000000000003 109.304 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 430' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 443' ' ' PHE . 0.9 OUTLIER -54.31 -63.56 1.11 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 2.0699999999999998 109.318 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -160.34 168.33 25.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 2.2200000000000002 109.302 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.516 HG23 ' CE1' ' A' ' 442' ' ' PHE . 3.2 p -157.77 148.1 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 3.1899999999999999 109.282 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 433' ' ' PHE . . . . . 0.462 ' CD1' HG23 ' A' ' 291' ' ' VAL . 3.5 p90 -145.41 163.93 33.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 4.0300000000000002 111.031 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -110.78 83.53 1.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 3.9900000000000002 110.937 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 4.8 t -104.77 -23.14 13.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 3.25 110.023 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 436' ' ' LYS . . . . . 0.554 ' HD3' ' CE1' ' A' ' 441' ' ' TYR . 0.0 OUTLIER -67.93 -168.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 6.8799999999999999 109.367 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -100.39 -21.76 15.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 6.4100000000000001 109.266 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.22 51.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 4.4299999999999997 109.254 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 439' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 452' ' ' ASP . 8.5 m-85 -142.4 166.27 25.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 4.4299999999999997 110.994 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 440' ' ' TYR . . . . . 0.526 ' HB3' ' CE2' ' A' ' 442' ' ' PHE . 12.5 m-85 -125.83 104.99 8.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 4.1699999999999999 111.032 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 441' ' ' TYR . . . . . 0.562 ' CE1' ' CG ' ' A' ' 450' ' ' GLU . 2.8 m-85 -91.19 96.62 10.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 4.1200000000000001 110.977 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . 0.542 ' CD2' HG23 ' A' ' 425' ' ' ILE . 70.4 m-85 -96.21 145.77 25.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 4.1299999999999999 111.026 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 443' ' ' PHE . . . . . 0.559 ' CZ ' ' CD ' ' A' ' 448' ' ' GLN . 0.3 OUTLIER -116.07 115.67 26.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 4.6600000000000001 110.971 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -114.68 78.69 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 4.6600000000000001 110.25 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 92.61 -86.76 1.21 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.123 . . . . 2.1899999999999999 111.047 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 12.9 m -141.7 38.33 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 3.8100000000000001 109.97 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -144.31 140.58 29.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 2.2599999999999998 109.275 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 448' ' ' GLN . . . . . 0.559 ' CD ' ' CZ ' ' A' ' 443' ' ' PHE . 4.0 tt0 -113.04 110.49 20.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 3.77 110.28 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -91.91 139.91 30.2 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.605 1.191 . . . . 3.3599999999999999 110.974 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . 0.562 ' CG ' ' CE1' ' A' ' 441' ' ' TYR . 0.7 OUTLIER -104.48 76.17 1.28 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.49 1.119 . . . . 4.7199999999999998 110.275 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -85.09 107.48 17.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.601 1.188 . . . . 4.2199999999999998 110.997 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 452' ' ' ASP . . . . . 0.562 ' HB2' ' CE1' ' A' ' 439' ' ' TYR . 40.3 t0 -100.83 155.21 18.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 3.79 109.296 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 454' ' ' LEU . 47.0 t80 -84.32 -10.71 57.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 4.21 111.02 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 453' ' ' PHE . 14.8 tp -40.12 -44.76 1.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 3.5899999999999999 109.267 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -168.72 32.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 2.77 109.275 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 45.57 66.33 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 3.4700000000000002 110.303 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.7 140.04 29.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 3.7799999999999998 110.277 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 4.6 mt -83.84 115.96 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 3.2400000000000002 109.269 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 10.0 p -88.43 -47.51 8.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 3.6400000000000001 110.363 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -128.11 165.1 21.03 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.111 . . . . 4.2199999999999998 109.292 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 13.6 m -153.99 116.33 4.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 3.6200000000000001 110.396 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 11.9 mt -86.49 178.89 6.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 4.8200000000000003 109.353 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.35 58.66 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 7.0599999999999996 109.309 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 464' ' ' SER . . . . . 0.406 ' O ' ' CG ' ' A' ' 465' ' ' ASN . 0.2 OUTLIER 42.51 31.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 3.1299999999999999 110.005 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 465' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 464' ' ' SER . 31.6 m-80 -173.59 44.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 2.7999999999999998 109.286 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 1.2 p -64.38 -35.2 80.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 5.0 109.999 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 467' ' ' TRP . . . . . 0.452 ' O ' ' C ' ' A' ' 468' ' ' PHE . 0.3 OUTLIER -165.31 -43.12 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.983 -1.117 . . . . 8.75 107.983 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 468' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' A' ' 467' ' ' TRP . 15.4 m-85 -33.58 -56.2 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 10.4 110.982 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -112.82 -84.56 1.36 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.52 1.138 . . . . 5.4199999999999999 110.975 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 470' ' ' CYS . . . . . 1.069 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 1.4 m . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 108.276 -1.009 . . . . 3.4500000000000002 108.276 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 281' ' ' LEU . . . . . 0.65 ' CD2' ' CD1' ' A' ' 468' ' ' PHE . 1.3 mt . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.288 -0.634 . . . . 3.5899999999999999 109.288 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 282' ' ' CYS . . . . . . . . . . . . . 42.3 t -157.14 51.01 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 3.8300000000000001 108.3 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 283' ' ' ASP . . . . . 0.408 ' HB3' ' OD1' ' A' ' 285' ' ' ASN . 0.7 OUTLIER -146.93 145.25 21.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 4.4800000000000004 109.276 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 68.68 5.77 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.542 1.812 . . . . 3.5 110.92 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 285' ' ' ASN . . . . . 0.408 ' OD1' ' HB3' ' A' ' 283' ' ' ASP . 0.3 OUTLIER -169.59 40.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 3.52 109.379 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.81 154.59 24.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 3.5899999999999999 109.284 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 57.4 p -142.62 176.84 8.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 2.8700000000000001 109.984 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -144.26 178.27 8.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 3.6899999999999999 111.024 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.54 -48.87 1.16 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 2.6000000000000001 109.31 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -147.89 141.08 25.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 1.8 109.345 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 291' ' ' VAL . . . . . . . . . . . . . 1.3 m -140.6 131.42 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 3.1400000000000001 109.333 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 14.2 t -143.69 163.13 34.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 2.2799999999999998 110.385 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 2.6 t -116.42 161.58 18.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 3.1000000000000001 110.377 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 79.4 t -135.5 77.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 2.4500000000000002 109.247 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 74.06 -88.07 0.67 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.548 1.155 . . . . 1.97 111.006 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -115.82 -5.99 12.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 0.787 . . . . 4.4199999999999999 109.276 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -99.83 161.03 13.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 3.3999999999999999 109.296 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 298' ' ' ILE . . . . . 0.448 ' C ' ' CD1' ' A' ' 299' ' ' PHE . 1.4 pt -139.37 144.48 28.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 3.21 109.264 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 299' ' ' PHE . . . . . 0.563 ' CE2' HD23 ' A' ' 308' ' ' LEU . 9.8 m-85 -138.77 167.81 21.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 3.8399999999999999 110.988 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 300' ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' A' ' 300' ' ' PHE . 0.1 OUTLIER -153.11 125.24 7.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 4.6900000000000004 111.022 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 301' ' ' PHE . . . . . 0.566 ' CD1' HD13 ' A' ' 332' ' ' ILE . 97.7 m-85 -104.68 146.28 29.16 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.531 1.144 . . . . 3.21 110.97 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.15 -53.86 2.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 4.5899999999999999 109.333 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 303' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 331' ' ' GLY . 12.6 t0 -169.82 -61.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 3.96 109.247 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 304' ' ' ARG . . . . . 0.571 ' HG2' ' CD2' ' A' ' 305' ' ' PHE . 0.0 OUTLIER -118.17 -22.76 7.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.439 1.087 . . . . 5.3200000000000003 110.242 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 305' ' ' PHE . . . . . 0.571 ' CD2' ' HG2' ' A' ' 304' ' ' ARG . 79.6 m-85 -103.45 155.53 18.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 4.4400000000000004 110.998 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 306' ' ' PHE . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 319' ' ' ASN . 6.5 p90 -116.01 150.39 37.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 2.8599999999999999 110.945 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 307' ' ' TRP . . . . . 0.562 ' CZ3' ' HB ' ' A' ' 318' ' ' VAL . 48.5 m95 -114.75 144.82 42.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 7.4000000000000004 108.008 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . 0.563 HD23 ' CE2' ' A' ' 299' ' ' PHE . 0.2 OUTLIER -132.46 112.67 12.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.419 1.074 . . . . 2.77 109.292 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -148.52 102.41 3.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 3.4500000000000002 109.244 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 310' ' ' VAL . . . . . . . . . . . . . 2.2 p -110.7 177.02 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 3.7400000000000002 109.347 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.93 29.55 0.63 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.534 1.146 . . . . 7.5800000000000001 109.965 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -149.33 23.36 0.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.094 . . . . 6.3799999999999999 110.31 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -120.88 134.1 24.25 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.125 . . . . 4.75 110.292 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -24.95 12.34 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.525 1.802 . . . . 2.98 110.935 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -150.65 160.07 44.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 4.1900000000000004 109.355 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 73.4 p -95.95 123.13 39.42 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.535 1.147 . . . . 3.1299999999999999 110.431 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 317' ' ' SER . . . . . 0.448 ' O ' ' CE3' ' A' ' 307' ' ' TRP . 0.6 OUTLIER -87.46 168.02 13.47 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 2.9199999999999999 110.012 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 318' ' ' VAL . . . . . 0.562 ' HB ' ' CZ3' ' A' ' 307' ' ' TRP . 6.2 p -153.36 121.94 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 4.0800000000000001 109.303 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 319' ' ' ASN . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 306' ' ' PHE . 0.9 OUTLIER -143.64 175.83 9.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.404 1.065 . . . . 3.0699999999999998 109.213 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 10.1 tp -81.86 154.78 25.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 3.0600000000000001 109.296 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 321' ' ' ILE . . . . . . . . . . . . . 37.5 mt -68.17 -70.1 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 2.9399999999999999 109.258 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 3.7 t -42.93 -32.41 0.63 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.476 1.11 . . . . 3.4500000000000002 110.003 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.35 -36.59 1.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 2.0600000000000001 109.965 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 5.2 mp -116.19 -58.98 2.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 3.77 109.318 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 325' ' ' TRP . . . . . 0.558 ' CD1' HD21 ' A' ' 328' ' ' LEU . 1.4 m-90 -58.22 152.03 44.06 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 3.6099999999999999 108.0 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -56.69 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.494 1.787 . . . . 1.78 110.978 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 327' ' ' THR . . . . . 0.567 HG22 ' CH2' ' A' ' 353' ' ' TRP . 3.1 t -153.94 104.01 2.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 3.1200000000000001 110.409 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 328' ' ' LEU . . . . . 0.558 HD21 ' CD1' ' A' ' 325' ' ' TRP . 0.2 OUTLIER -99.8 167.72 10.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 3.6099999999999999 109.315 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 329' ' ' PRO . . . . . 0.475 ' HD2' ' CD1' ' A' ' 328' ' ' LEU . 18.3 Cg_endo -74.99 -16.42 20.24 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.515 1.797 . . . . 4.1799999999999997 111.024 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 53.0 p 58.68 111.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 3.7799999999999998 110.001 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 303' ' ' ASP . . . 104.02 41.56 2.09 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.493 1.12 . . . . 1.6599999999999999 111.013 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.566 HD13 ' CD1' ' A' ' 301' ' ' PHE . 3.0 mt -49.25 102.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 0.785 . . . . 3.1899999999999999 109.382 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -79.73 -35.48 38.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 2.9700000000000002 110.305 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -142.96 122.26 13.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 1.6899999999999999 109.249 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -109.44 115.43 29.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 2.1000000000000001 109.287 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 336' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -108.63 158.94 17.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 4.6699999999999999 111.048 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -155.59 142.74 19.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 3.4100000000000001 110.269 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 338' ' ' ILE . . . . . . . . . . . . . 2.7 tp -140.64 121.36 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 4.46 109.238 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.18 -41.38 49.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 3.6699999999999999 110.299 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -40.94 -57.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 2.4900000000000002 109.292 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -85.82 -19.07 31.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 3.8999999999999999 110.286 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 4.7 t30 62.66 52.54 2.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 2.23 109.291 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -125.35 178.51 5.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 2.5 110.328 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 344' ' ' VAL . . . . . . . . . . . . . 40.6 t -137.51 135.06 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 2.2000000000000002 109.274 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 345' ' ' PHE . . . . . 0.488 ' CE2' ' CE1' ' A' ' 352' ' ' TYR . 17.0 m-85 -130.34 129.81 43.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 3.79 110.965 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . 0.426 ' CD1' HG23 ' A' ' 332' ' ' ILE . 2.9 mm? -124.01 103.0 8.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 2.6200000000000001 109.346 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -83.62 142.21 30.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 3.2599999999999998 110.959 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 348' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 351' ' ' LYS . 11.7 tmtt? -164.71 125.85 2.1 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.44 1.087 . . . . 3.5899999999999999 109.331 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 50.32 -150.5 0.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 3.0099999999999998 109.346 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 350' ' ' ASP . . . . . 0.435 ' OD1' ' ND1' ' A' ' 369' ' ' HIS . 44.8 t0 -88.26 44.11 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 2.8900000000000001 109.253 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 348' ' ' LYS . 18.5 mttt -155.25 149.73 26.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 2.6299999999999999 109.32 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 352' ' ' TYR . . . . . 0.562 ' C ' ' CD1' ' A' ' 352' ' ' TYR . 0.0 OUTLIER -143.79 127.09 16.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 6.25 111.042 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 353' ' ' TRP . . . . . 0.567 ' CH2' HG22 ' A' ' 327' ' ' THR . 21.4 m95 -95.83 146.88 24.2 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.989 -1.115 . . . . 7.4199999999999999 107.989 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 354' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -108.94 113.01 25.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 4.1900000000000004 109.297 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . 0.483 ' N ' ' CD1' ' A' ' 355' ' ' ILE . 2.1 mp -93.39 92.75 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 2.7000000000000002 109.25 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 1.4 t -96.12 122.29 38.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 2.3700000000000001 110.022 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 357' ' ' ASN . . . . . 0.488 ' O ' ' CD2' ' A' ' 358' ' ' LEU . 45.6 m-20 59.48 47.62 10.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 3.1699999999999999 109.356 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 358' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 357' ' ' ASN . 0.3 OUTLIER 55.14 37.02 28.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 3.8799999999999999 109.205 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.82 115.47 3.23 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.14 . . . . 5.6900000000000004 110.295 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 360' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 110.35 3.1 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.444 1.76 . . . . 2.3999999999999999 110.971 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -39.04 128.29 1.23 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 3.9900000000000002 110.376 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 362' ' ' PRO . . . . . 0.428 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.3 Cg_endo -75.03 122.5 7.23 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.475 1.776 . . . . 3.6499999999999999 110.98 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 363' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 4.8 t-20 77.99 54.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.157 . . . . 3.6200000000000001 109.343 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 364' ' ' TYR . . . . . 0.554 ' CD2' ' HD2' ' A' ' 366' ' ' LYS . 0.8 OUTLIER -136.52 60.09 29.42 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 3.2999999999999998 110.993 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 365' ' ' PRO . . . . . 0.482 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -75.04 53.31 3.31 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.501 1.79 . . . . 1.9299999999999999 110.984 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 366' ' ' LYS . . . . . 0.559 ' HB3' ' CD2' ' A' ' 352' ' ' TYR . 0.3 OUTLIER -62.29 169.51 2.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 3.1400000000000001 109.298 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 367' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 370' ' ' SER . 3.7 m -153.05 144.03 22.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 3.2799999999999998 110.019 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.77 -20.02 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 3.1699999999999999 109.252 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 369' ' ' HIS . . . . . 0.435 ' ND1' ' OD1' ' A' ' 350' ' ' ASP . 0.9 OUTLIER -69.7 -19.15 63.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 5.04 109.661 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 370' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 367' ' ' SER . 0.2 OUTLIER -70.39 -7.06 40.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.404 1.065 . . . . 2.5699999999999998 110.054 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 371' ' ' PHE . . . . . 0.482 ' CD2' ' O ' ' A' ' 371' ' ' PHE . 36.9 p90 -170.84 57.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 8.6500000000000004 111.017 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 372' ' ' GLY . . . . . 0.593 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -171.18 -50.64 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.557 1.161 . . . . 3.2400000000000002 110.933 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 373' ' ' PHE . . . . . 0.593 ' C ' ' O ' ' A' ' 372' ' ' GLY . 22.3 t80 -19.56 92.09 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 6.3399999999999999 110.951 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 374' ' ' PRO . . . . . 0.468 ' N ' ' O ' ' A' ' 372' ' ' GLY . 18.1 Cg_endo -74.98 -55.47 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 2.4900000000000002 111.044 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -134.62 -55.84 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.583 1.177 . . . . 5.5899999999999999 109.3 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -160.44 33.0 0.16 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 8.2100000000000009 110.977 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 377' ' ' VAL . . . . . 0.403 ' CG2' HG11 ' A' ' 396' ' ' VAL . 0.3 OUTLIER -73.43 141.74 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 3.6400000000000001 109.218 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.84 29.75 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 3.52 109.343 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -170.91 122.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 4.1399999999999997 109.308 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 10.0 mt -99.49 144.29 12.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 1.79 109.342 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.58 -47.04 11.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 2.2000000000000002 109.359 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -157.76 169.34 24.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 2.1200000000000001 109.292 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -153.36 118.02 4.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 1.9399999999999999 109.303 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 9.6 p -134.2 171.28 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 3.1099999999999999 109.299 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -135.74 148.29 48.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 2.5499999999999998 110.984 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.5 125.75 29.14 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 3.2400000000000002 109.283 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 387' ' ' PRO . . . . . 0.485 ' O ' ' CE1' ' A' ' 390' ' ' TYR . 18.1 Cg_endo -75.06 -30.54 6.97 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.568 1.825 . . . . 1.9399999999999999 111.045 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 388' ' ' ARG . . . . . 0.46 ' O ' ' CE2' ' A' ' 390' ' ' TYR . 12.1 mmm180 -80.34 -41.26 25.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 2.8799999999999999 110.327 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 389' ' ' PHE . . . . . 0.419 ' O ' ' CG ' ' A' ' 391' ' ' ARG . 0.2 OUTLIER -87.24 -13.38 43.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.173 . . . . 4.0499999999999998 110.991 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 390' ' ' TYR . . . . . 0.485 ' CE1' ' O ' ' A' ' 387' ' ' PRO . 39.5 m-85 48.9 35.06 6.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 4.04 111.028 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 391' ' ' ARG . . . . . 0.419 ' CG ' ' O ' ' A' ' 389' ' ' PHE . 1.4 mtt85 -135.1 145.16 47.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 5.0 110.323 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 81.1 m -98.82 112.46 24.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 1.8 110.421 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -79.22 135.36 36.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 3.25 110.988 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.6 109.57 17.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 4.1600000000000001 110.974 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 395' ' ' PHE . . . . . 0.403 ' CE1' HG22 ' A' ' 418' ' ' ILE . 22.7 m-85 -90.85 111.61 23.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.131 . . . . 2.21 111.024 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 396' ' ' VAL . . . . . 0.403 HG11 ' CG2' ' A' ' 377' ' ' VAL . 52.5 t -135.03 122.56 37.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.357 1.036 . . . . 2.48 109.333 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 55.89 -151.94 0.38 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 3.96 109.238 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -89.08 48.65 1.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 3.8599999999999999 109.277 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -144.98 164.71 30.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 3.0099999999999998 110.234 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 400' ' ' TYR . . . . . 0.515 ' CD1' ' C ' ' A' ' 400' ' ' TYR . 0.1 OUTLIER -121.95 123.53 41.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 4.2199999999999998 111.0 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -117.12 163.18 16.66 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.018 -1.104 . . . . 6.5700000000000003 108.018 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 402' ' ' ARG . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 402' ' ' ARG . 14.4 ttp-105 -154.58 127.73 8.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 6.3399999999999999 110.295 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -105.68 127.81 53.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 6.8600000000000003 111.076 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.31 131.55 43.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 2.0299999999999998 109.31 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.18 -47.15 4.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 2.6699999999999999 110.291 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -65.0 -37.94 89.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 6.9299999999999997 110.262 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 407' ' ' ARG . . . . . 0.438 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.5 OUTLIER -87.79 -44.99 10.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 2.8900000000000001 110.269 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . 0.438 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 1.3 tt0 81.89 39.76 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 2.6099999999999999 110.325 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -145.18 104.97 4.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 3.5699999999999998 110.978 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.49 126.63 28.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 3.4100000000000001 111.053 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.03 133.02 40.09 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 3.3300000000000001 109.31 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 114.26 3.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.541 1.811 . . . . 2.8799999999999999 111.003 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 53.22 102.01 0.01 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.518 1.136 . . . . 2.2000000000000002 110.97 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 414' ' ' TYR . . . . . 0.514 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 2.1 t80 -144.38 63.07 10.67 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.528 0.781 . . . . 3.5499999999999998 110.978 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 415' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -74.96 76.13 3.47 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.557 1.82 . . . . 1.5800000000000001 110.994 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . 0.514 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 27.4 mmtt -94.45 -174.62 3.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.399 1.062 . . . . 3.8100000000000001 109.316 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.13 135.93 53.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 3.5899999999999999 109.328 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 418' ' ' ILE . . . . . 0.403 HG22 ' CE1' ' A' ' 395' ' ' PHE . 2.8 mt -65.78 -63.43 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 2.7200000000000002 109.358 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 419' ' ' THR . . . . . 0.469 ' HB ' ' CA ' ' A' ' 427' ' ' PRO . 5.2 t -47.81 -43.92 28.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 2.6000000000000001 110.368 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -61.28 -40.08 92.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 3.0499999999999998 109.342 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -69.99 -61.7 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 3.1800000000000002 109.276 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 422' ' ' PHE . . . . . 0.424 ' CB ' HD12 ' A' ' 425' ' ' ILE . 19.9 m-85 -81.3 -70.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 4.29 111.037 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 423' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 419' ' ' THR . 0.0 OUTLIER 75.89 96.72 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 3.1800000000000002 110.295 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 151.96 -29.47 0.91 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.156 . . . . 1.73 111.011 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 425' ' ' ILE . . . . . 0.432 HG13 ' CD2' ' A' ' 442' ' ' PHE . 0.2 OUTLIER -100.31 -24.92 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 2.96 109.281 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 107.94 159.39 20.4 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.53 1.144 . . . . 1.3600000000000001 110.974 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . 0.469 ' CA ' ' HB ' ' A' ' 419' ' ' THR . 18.3 Cg_endo -75.02 -3.98 14.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.567 1.825 . . . . 2.4900000000000002 111.024 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.3 133.27 54.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.604 1.19 . . . . 3.4300000000000002 109.326 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 7.1 tp -143.87 134.66 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 3.1499999999999999 109.292 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -103.49 -56.63 2.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.436 1.085 . . . . 3.98 109.279 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -134.73 150.31 50.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.174 . . . . 1.6499999999999999 109.352 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 9.3 p -156.65 136.71 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 2.8700000000000001 109.289 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 433' ' ' PHE . . . . . 0.41 ' CE1' ' HB2' ' A' ' 441' ' ' TYR . 7.5 p90 -141.3 135.07 30.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 3.8900000000000001 111.04 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -88.8 101.84 14.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 4.3300000000000001 111.037 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -151.29 97.61 2.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 3.1000000000000001 110.008 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 436' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 176.53 -163.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 4.6299999999999999 109.262 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -83.32 -37.95 22.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 6.9100000000000001 109.345 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 438' ' ' LYS . . . . . 0.54 ' O ' ' CD1' ' A' ' 439' ' ' TYR . 0.0 OUTLIER -178.54 62.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 4.0800000000000001 109.273 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 439' ' ' TYR . . . . . 0.54 ' CD1' ' O ' ' A' ' 438' ' ' LYS . 49.7 m-85 -154.3 172.12 18.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 3.6499999999999999 111.042 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -135.96 140.17 43.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 4.04 110.982 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 441' ' ' TYR . . . . . 0.41 ' HB2' ' CE1' ' A' ' 433' ' ' PHE . 5.9 m-85 -105.09 127.82 53.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 3.4300000000000002 110.976 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . 0.432 ' CD2' HG13 ' A' ' 425' ' ' ILE . 22.5 m-85 -122.4 141.33 51.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 4.3399999999999999 111.05 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 443' ' ' PHE . . . . . 0.537 ' C ' ' CD1' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -150.49 146.3 26.53 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.495 1.122 . . . . 6.7599999999999998 111.03 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -159.28 67.45 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 5.2999999999999998 110.277 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 148.14 -90.37 0.14 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.566 1.166 . . . . 2.1699999999999999 110.973 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 4.5 p -150.66 36.1 0.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.408 0.71 . . . . 2.8599999999999999 109.963 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -146.56 142.18 27.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 3.6699999999999999 109.335 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 448' ' ' GLN . . . . . 0.455 ' CB ' HD22 ' A' ' 462' ' ' LEU . 6.3 mt-30 -123.72 90.22 3.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 4.71 110.294 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -82.98 159.95 22.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 3.4300000000000002 110.982 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -124.84 129.98 51.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 3.7999999999999998 110.35 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -105.98 144.01 33.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 4.6900000000000004 111.054 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -124.66 112.14 16.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 3.1800000000000002 109.271 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -61.42 -12.91 16.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 4.2199999999999998 111.017 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 16.0 tp -57.0 -32.64 66.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 3.3500000000000001 109.296 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.464 ' CD1' ' HD3' ' A' ' 457' ' ' ARG . 1.0 OUTLIER -177.03 44.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 2.79 109.311 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 456' ' ' GLN . . . . . 0.419 ' NE2' ' O ' ' A' ' 455' ' ' LEU . 3.3 pm0 38.47 45.74 0.88 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.573 1.171 . . . . 6.0300000000000002 110.328 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 457' ' ' ARG . . . . . 0.464 ' HD3' ' CD1' ' A' ' 455' ' ' LEU . 0.5 OUTLIER -93.03 167.99 11.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 3.5600000000000001 110.349 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 2.5 mp -143.17 79.83 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 3.29 109.311 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 1.8 t -102.23 43.31 1.08 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 3.6699999999999999 110.409 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.69 100.74 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 4.0300000000000002 109.297 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 5.3 p -121.76 112.35 18.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 3.3900000000000001 110.384 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 462' ' ' LEU . . . . . 0.455 HD22 ' CB ' ' A' ' 448' ' ' GLN . 0.8 OUTLIER -140.39 170.39 15.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.449 1.093 . . . . 3.5499999999999998 109.328 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.0 168.03 10.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 3.3300000000000001 109.293 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 1.3 t -51.07 -35.18 33.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 2.0699999999999998 110.008 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -99.82 65.97 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 3.71 109.313 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 30.4 t -114.23 -19.83 11.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 3.6699999999999999 109.986 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 467' ' ' TRP . . . . . 0.424 ' O ' ' N ' ' A' ' 469' ' ' GLY . 0.6 OUTLIER -104.77 -56.15 2.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.603 1.189 . . . . 5.6799999999999997 107.989 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 468' ' ' PHE . . . . . 0.65 ' CD1' ' CD2' ' A' ' 281' ' ' LEU . 74.9 m-85 -39.34 -29.61 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.132 . . . . 7.6799999999999997 110.94 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 467' ' ' TRP . . . 101.8 56.61 0.85 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.537 1.148 . . . . 2.6899999999999999 110.978 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 N-CA-C 108.364 -0.976 . . . . 3.4700000000000002 108.364 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 281' ' ' LEU . . . . . 0.429 HD22 ' CD1' ' A' ' 468' ' ' PHE . 1.3 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.339 -0.615 . . . . 3.02 109.339 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 282' ' ' CYS . . . . . 1.206 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 1.8 t -130.95 17.31 5.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.423 1.077 . . . . 3.48 108.317 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 283' ' ' ASP . . . . . 0.432 ' O ' ' ND2' ' A' ' 465' ' ' ASN . 1.0 OUTLIER -157.79 152.45 20.83 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 3.5899999999999999 109.34 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 59.3 5.12 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.433 1.754 . . . . 2.21 110.99 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -121.39 24.43 9.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 3.8599999999999999 109.344 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 5.7 tp -110.62 150.37 29.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 3.79 109.322 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 3.7 p -145.19 167.91 21.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 2.5299999999999998 110.017 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -130.33 171.53 12.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.412 1.07 . . . . 3.0600000000000001 110.994 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -115.97 -53.44 2.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 2.6200000000000001 109.265 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -150.42 150.55 31.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.162 . . . . 1.78 109.315 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 291' ' ' VAL . . . . . 0.523 HG11 ' CD2' ' A' ' 300' ' ' PHE . 3.9 m -138.03 165.99 24.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 3.0299999999999998 109.354 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 1.6 t -149.84 167.11 27.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 2.4399999999999999 110.352 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 293' ' ' THR . . . . . 0.445 ' CG2' ' HB2' ' A' ' 433' ' ' PHE . 82.6 p -120.3 118.19 29.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 4.3099999999999996 110.446 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 294' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 296' ' ' ASN . 62.0 t -122.61 114.38 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 2.73 109.329 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 54.9 -86.77 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 1.97 110.989 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 296' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 294' ' ' VAL . 6.6 p-10 -141.37 25.39 2.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 0.748 . . . . 3.8999999999999999 109.267 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . 0.474 ' HA ' ' CG2' ' A' ' 310' ' ' VAL . 16.1 mtmt -125.04 164.92 19.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 3.46 109.301 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 3.3 pt -141.23 130.3 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 3.4300000000000002 109.307 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -104.42 142.83 33.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 3.52 111.032 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 300' ' ' PHE . . . . . 0.523 ' CD2' HG11 ' A' ' 291' ' ' VAL . 14.8 m-85 -126.95 98.08 5.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.451 1.095 . . . . 3.98 111.044 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 301' ' ' PHE . . . . . 0.424 ' HA ' ' CB ' ' A' ' 306' ' ' PHE . 15.8 m-85 -86.57 157.41 19.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 3.3599999999999999 111.042 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -162.26 74.05 0.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 3.6699999999999999 109.303 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 303' ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' A' ' 304' ' ' ARG . 1.6 m-20 49.65 88.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 3.0099999999999998 109.303 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 304' ' ' ARG . . . . . 0.47 ' HB2' ' O ' ' A' ' 303' ' ' ASP . 0.2 OUTLIER 69.15 -57.6 0.52 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 5.1100000000000003 110.285 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 305' ' ' PHE . . . . . 0.419 ' N ' ' O ' ' A' ' 303' ' ' ASP . 2.8 m-85 -78.09 121.66 24.57 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.573 1.171 . . . . 4.2699999999999996 110.99 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 306' ' ' PHE . . . . . 0.564 ' CD2' ' O ' ' A' ' 319' ' ' ASN . 15.5 p90 -128.98 137.53 51.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 2.1800000000000002 111.002 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 307' ' ' TRP . . . . . 0.469 ' CE2' HG21 ' A' ' 318' ' ' VAL . 5.0 m-90 -91.68 146.83 23.46 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.922 -1.14 . . . . 5.4800000000000004 107.922 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -123.3 120.57 33.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 2.9399999999999999 109.324 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.32 114.27 6.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 3.5699999999999998 109.334 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 310' ' ' VAL . . . . . 0.474 ' CG2' ' HA ' ' A' ' 297' ' ' LYS . 0.5 OUTLIER -136.37 -179.85 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 3.1499999999999999 109.281 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.8 138.32 58.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 6.9000000000000004 110.002 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 69.33 40.55 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 5.8399999999999999 110.266 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 313' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 315' ' ' LYS . 2.5 tpt180 -128.63 94.9 33.86 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.505 1.128 . . . . 4.2599999999999998 110.239 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 1.56 7.58 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.528 1.804 . . . . 4.0899999999999999 111.012 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 315' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 313' ' ' ARG . 13.4 tttt -159.57 160.72 34.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 5.3300000000000001 109.288 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 21.5 p -115.14 151.75 33.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 2.0299999999999998 110.38 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 8.7 t -115.13 119.61 36.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 2.4199999999999999 109.983 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 318' ' ' VAL . . . . . 0.469 HG21 ' CE2' ' A' ' 307' ' ' TRP . 96.2 t -92.13 94.0 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.397 1.061 . . . . 2.8900000000000001 109.295 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 319' ' ' ASN . . . . . 0.564 ' O ' ' CD2' ' A' ' 306' ' ' PHE . 1.0 OUTLIER -110.29 174.52 5.83 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.522 1.139 . . . . 2.0899999999999999 109.307 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.17 150.06 23.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 3.1499999999999999 109.335 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 321' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 324' ' ' LEU . 4.9 mt -65.42 -62.86 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 1.9399999999999999 109.308 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 8.2 m -46.42 -31.03 2.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 2.46 110.005 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.55 -37.63 88.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 2.1699999999999999 109.971 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 321' ' ' ILE . 14.1 tp -97.2 -73.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 4.5800000000000001 109.313 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 325' ' ' TRP . . . . . 0.421 ' CD1' HD21 ' A' ' 328' ' ' LEU . 0.2 OUTLIER -60.86 151.2 74.38 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 2.29 107.955 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -74.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.419 1.747 . . . . 1.3300000000000001 110.983 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 327' ' ' THR . . . . . 0.448 ' CG2' ' O ' ' A' ' 327' ' ' THR . 11.0 t -128.78 91.06 3.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 2.3500000000000001 110.416 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 328' ' ' LEU . . . . . 0.421 HD21 ' CD1' ' A' ' 325' ' ' TRP . 4.4 mm? -126.89 161.64 52.28 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 2.9500000000000002 109.345 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 329' ' ' PRO . . . . . 0.507 ' HG3' ' CD2' ' A' ' 353' ' ' TRP . 18.4 Cg_endo -74.95 129.52 12.46 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.612 1.848 . . . . 2.0899999999999999 110.943 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 11.6 m -88.45 136.44 32.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 2.3900000000000001 109.989 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 85.01 42.92 6.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.477 1.111 . . . . 1.22 110.993 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 329' ' ' PRO . 22.1 mm -48.97 134.44 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 3.3900000000000001 109.341 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -94.71 -24.85 16.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.44 1.087 . . . . 2.7200000000000002 110.332 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -167.22 130.43 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 1.9199999999999999 109.323 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -130.23 143.54 50.84 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.523 1.139 . . . . 1.9399999999999999 109.296 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 336' ' ' TYR . . . . . 0.461 ' CE1' ' CB ' ' A' ' 345' ' ' PHE . 13.1 p90 -153.62 125.39 7.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 4.5599999999999996 111.034 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.41 167.29 10.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 4.6600000000000001 110.309 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 338' ' ' ILE . . . . . . . . . . . . . 6.6 tp -150.14 124.61 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 5.3099999999999996 109.345 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -74.36 -33.08 62.99 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 4.1900000000000004 110.334 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -53.0 -49.36 66.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 2.2999999999999998 109.203 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -93.33 -22.65 18.83 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.557 1.161 . . . . 4.0 110.366 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 24.5 t30 60.29 43.58 13.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.168 . . . . 2.2000000000000002 109.352 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . 0.441 ' HG2' ' CD1' ' A' ' 354' ' ' LEU . 2.4 tt0 -131.35 136.96 48.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 3.54 110.289 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 344' ' ' VAL . . . . . . . . . . . . . 43.9 t -94.78 163.11 2.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 2.27 109.322 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 345' ' ' PHE . . . . . 0.572 ' CE2' HD11 ' A' ' 354' ' ' LEU . 82.1 m-85 -151.37 129.94 12.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 4.29 111.024 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -122.61 122.73 39.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 3.1099999999999999 109.303 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -99.88 144.58 28.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 3.0899999999999999 110.961 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 348' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.32 123.99 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 4.1699999999999999 109.311 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 4.2 t0 51.09 -151.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 3.3100000000000001 109.298 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 350' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -85.93 44.69 1.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 2.9100000000000001 109.319 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -155.26 150.01 26.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 3.7200000000000002 109.249 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 352' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 366' ' ' LYS . 1.0 OUTLIER -125.81 154.51 42.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 5.6399999999999997 110.968 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 353' ' ' TRP . . . . . 0.695 ' NE1' ' CE1' ' A' ' 364' ' ' TYR . 6.2 m-90 -121.96 127.33 50.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 5.9699999999999998 108.0 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 354' ' ' LEU . . . . . 0.572 HD11 ' CE2' ' A' ' 345' ' ' PHE . 1.9 tp -114.94 111.94 21.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 3.0099999999999998 109.236 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . 0.417 ' N ' ' CD1' ' A' ' 355' ' ' ILE . 1.3 mp -107.6 156.4 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 3.52 109.315 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 27.1 t -150.3 125.46 10.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 2.8100000000000001 109.977 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 61.25 37.47 17.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 3.2799999999999998 109.287 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 358' ' ' LEU . . . . . 0.433 ' O ' ' CG ' ' A' ' 358' ' ' LEU . 0.2 OUTLIER 63.46 33.86 13.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 4.4400000000000004 109.293 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.72 135.13 17.59 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 5.1900000000000004 110.279 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 360' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 140.6 25.86 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.449 1.763 . . . . 2.7200000000000002 110.998 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.62 146.87 47.81 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 2.9100000000000001 110.253 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 3.48 5.6 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.463 1.77 . . . . 3.77 110.976 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 363' ' ' ASN . . . . . 0.446 ' C ' ' HD2' ' A' ' 365' ' ' PRO . 0.8 OUTLIER -126.61 25.27 6.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.088 . . . . 10.91 109.304 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 364' ' ' TYR . . . . . 0.787 ' N ' ' CD ' ' A' ' 365' ' ' PRO . 0.1 OUTLIER -76.58 -31.94 0.99 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 12.550000000000001 111.013 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 365' ' ' PRO . . . . . 0.787 ' CD ' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -75.08 78.79 2.84 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.424 1.749 . . . . 3.3500000000000001 110.957 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 366' ' ' LYS . . . . . 0.578 ' HB2' ' CE2' ' A' ' 352' ' ' TYR . 9.0 mttm -129.84 166.3 20.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 4.0300000000000002 109.304 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 367' ' ' SER . . . . . 0.421 ' HB3' ' ND1' ' A' ' 369' ' ' HIS . 19.4 m -106.1 117.92 35.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 2.8700000000000001 109.977 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 2.4 pt -57.66 -29.93 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 2.6800000000000002 109.293 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 369' ' ' HIS . . . . . 0.521 ' HB2' ' CG ' ' A' ' 373' ' ' PHE . 1.1 p-80 -52.12 -22.06 3.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 3.9399999999999999 109.552 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 5.8 t -67.0 -9.82 43.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 2.77 110.023 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 371' ' ' PHE . . . . . 0.541 ' C ' ' CD1' ' A' ' 371' ' ' PHE . 0.1 OUTLIER -92.89 20.27 6.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 10.449999999999999 110.97 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . 119.81 -53.36 0.68 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.436 1.085 . . . . 4.4900000000000002 111.006 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 373' ' ' PHE . . . . . 0.521 ' CG ' ' HB2' ' A' ' 369' ' ' HIS . 32.5 t80 59.14 82.14 0.24 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 0.75 . . . . 5.75 110.991 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 374' ' ' PRO . . . . . 0.422 ' HD2' ' CG2' ' A' ' 377' ' ' VAL . 18.1 Cg_endo -75.09 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.498 1.788 . . . . 2.4399999999999999 110.977 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -107.68 64.6 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 6.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 172.85 38.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.146 . . . . 9.8300000000000001 110.936 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 377' ' ' VAL . . . . . 0.422 ' CG2' ' HD2' ' A' ' 374' ' ' PRO . 64.1 t -127.75 147.46 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 3.48 109.285 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 2.4 mtmm 174.26 -36.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 4.8399999999999999 109.24 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 10.4 pttt -158.36 135.62 10.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.441 1.088 . . . . 2.8700000000000001 109.323 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 21.5 mt -100.13 167.49 2.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 1.8799999999999999 109.317 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -108.53 -47.69 3.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.588 1.18 . . . . 2.4900000000000002 109.273 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -158.38 167.94 28.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 1.5900000000000001 109.278 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -137.67 117.33 13.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.128 . . . . 2.25 109.325 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . 0.434 ' CG2' ' HB2' ' A' ' 393' ' ' TYR . 35.1 m -123.0 130.39 74.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.148 . . . . 4.4699999999999998 109.282 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -110.54 135.59 50.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 2.3500000000000001 111.007 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.57 123.62 31.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.179 . . . . 2.9900000000000002 109.278 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -17.78 19.28 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.512 1.796 . . . . 1.8799999999999999 110.961 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -73.83 -31.65 63.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 3.0299999999999998 110.345 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -114.0 -4.21 13.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 4.2300000000000004 110.941 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 53.32 19.13 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 5.3600000000000003 111.042 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.03 159.08 21.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 5.3899999999999997 110.285 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 43.8 m -117.96 122.79 44.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.072 . . . . 1.7 110.403 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . 0.434 ' HB2' ' CG2' ' A' ' 384' ' ' VAL . 10.8 m-30 -87.93 134.5 33.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.385 1.053 . . . . 3.1600000000000001 111.019 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -118.42 135.02 54.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 3.6200000000000001 111.022 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 395' ' ' PHE . . . . . 0.474 ' CD1' HG12 ' A' ' 418' ' ' ILE . 17.0 m-85 -106.14 116.19 31.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 1.73 110.999 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 396' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 398' ' ' ASN . 45.0 t -106.42 82.09 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 2.8399999999999999 109.323 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 69.23 -65.32 0.3 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.549 1.155 . . . . 3.9900000000000002 109.29 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 396' ' ' VAL . 46.9 p-10 -152.87 55.82 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 3.5699999999999998 109.261 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -144.86 155.62 43.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 3.0600000000000001 110.311 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -123.15 95.89 4.78 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.572 1.17 . . . . 3.8500000000000001 111.058 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -97.36 164.89 12.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 6.71 108.002 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -149.63 117.45 6.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 3.3599999999999999 110.352 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 403' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 404' ' ' ASP . 10.1 t80 -109.32 136.07 49.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 5.3700000000000001 110.972 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 404' ' ' ASP . . . . . 0.596 ' O ' ' CE1' ' A' ' 403' ' ' TYR . 0.4 OUTLIER -81.81 129.13 34.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 1.8100000000000001 109.267 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -98.21 -41.79 7.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 3.7599999999999998 110.355 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? -71.31 -27.71 63.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 7.0700000000000003 110.26 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 407' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.5 OUTLIER -98.98 -43.94 6.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 3.2599999999999998 110.269 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . 0.471 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 2.2 tt0 83.75 31.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 3.5800000000000001 110.289 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 7.2 tpt -135.66 96.62 3.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.167 . . . . 2.8300000000000001 110.972 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 410' ' ' MET . . . . . 0.416 ' HB3' ' CD2' ' A' ' 403' ' ' TYR . 0.0 OUTLIER -56.67 135.36 55.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 2.7599999999999998 110.986 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.87 139.33 17.06 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 2.4300000000000002 109.33 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 108.67 2.77 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.573 1.828 . . . . 2.6899999999999999 110.982 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 51.16 102.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 1.8999999999999999 110.974 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 414' ' ' TYR . . . . . 0.576 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 2.5 t80 -135.61 63.16 52.47 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.476 0.75 . . . . 2.4100000000000001 110.995 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 415' ' ' PRO . . . . . 0.411 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.4 Cg_endo -75.0 71.34 5.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.555 1.819 . . . . 1.5900000000000001 111.015 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . 0.576 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 17.2 mmtt -96.35 -174.17 2.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.15 . . . . 3.21 109.343 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.8 tp -132.92 145.22 50.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 3.4900000000000002 109.327 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 418' ' ' ILE . . . . . 0.474 HG12 ' CD1' ' A' ' 395' ' ' PHE . 1.1 mp -68.62 -69.57 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.453 1.096 . . . . 2.4500000000000002 109.262 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 419' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 418' ' ' ILE . 6.6 t -38.92 -31.15 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 1.8799999999999999 110.371 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 418' ' ' ILE . 45.1 mttt -69.42 -68.73 0.39 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 2.1899999999999999 109.266 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.66 -50.48 54.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 3.6299999999999999 109.342 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 422' ' ' PHE . . . . . 0.528 ' HB3' ' CE2' ' A' ' 451' ' ' TYR . 67.0 m-85 -121.57 103.1 8.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 3.71 111.05 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -89.57 73.81 7.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 2.52 110.277 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . 0.43 ' C ' ' CG2' ' A' ' 425' ' ' ILE . . . -173.11 32.64 0.11 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.481 1.113 . . . . 2.6400000000000001 111.019 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 425' ' ' ILE . . . . . 0.512 HG22 ' CE2' ' A' ' 442' ' ' PHE . 0.2 OUTLIER -151.27 -44.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.46 0.741 . . . . 3.3999999999999999 109.315 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 426' ' ' GLY . . . . . 0.442 ' N ' HG12 ' A' ' 425' ' ' ILE . . . 120.25 166.78 13.28 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.87 111.026 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -11.63 21.41 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.542 1.811 . . . . 1.25 111.026 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.54 136.69 54.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 4.0099999999999998 109.257 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 429' ' ' ILE . . . . . 0.46 HG23 ' CD2' ' A' ' 395' ' ' PHE . 7.0 tp -131.02 161.08 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 2.7400000000000002 109.289 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 430' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 443' ' ' PHE . 1.0 OUTLIER -115.37 -63.84 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 2.9500000000000002 109.25 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -142.57 142.95 32.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 1.5900000000000001 109.349 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.412 ' CG2' HG12 ' A' ' 429' ' ' ILE . 11.7 t -141.92 139.28 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 3.6400000000000001 109.242 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 433' ' ' PHE . . . . . 0.45 ' CE2' ' CE1' ' A' ' 443' ' ' PHE . 8.0 p90 -143.55 147.89 35.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 3.6299999999999999 111.024 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -98.58 88.18 4.02 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.434 1.084 . . . . 4.6900000000000004 110.995 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 10.2 p -133.04 96.31 3.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.404 1.065 . . . . 3.1600000000000001 110.027 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 436' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt 174.24 -161.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 4.6799999999999997 109.238 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -93.42 -36.88 12.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 4.7800000000000002 109.364 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -174.82 57.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 3.6800000000000002 109.32 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -144.84 161.61 38.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 3.2000000000000002 110.997 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -122.69 124.03 42.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 5.0899999999999999 110.99 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 441' ' ' TYR . . . . . 0.564 ' CE1' ' HG3' ' A' ' 450' ' ' GLU . 4.6 m-85 -98.22 133.52 42.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 3.5600000000000001 111.043 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . 0.512 ' CE2' HG22 ' A' ' 425' ' ' ILE . 82.4 m-85 -124.75 132.73 53.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 4.0599999999999996 111.067 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 443' ' ' PHE . . . . . 0.45 ' CE1' ' CE2' ' A' ' 433' ' ' PHE . 9.6 m-85 -116.39 114.44 24.29 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.132 . . . . 6.1200000000000001 110.991 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 444' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 425' ' ' ILE . 1.2 mt-30 -117.46 79.71 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 5.8700000000000001 110.32 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 96.35 -101.86 2.7 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.459 1.1 . . . . 2.73 110.963 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 79.1 p -107.09 -48.36 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.746 . . . . 3.1800000000000002 110.004 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -80.15 146.73 31.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 2.4500000000000002 109.295 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -132.6 127.61 35.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 3.5899999999999999 110.301 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -99.48 162.37 13.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 3.5899999999999999 111.027 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . 0.564 ' HG3' ' CE1' ' A' ' 441' ' ' TYR . 1.4 tt0 -124.79 141.77 51.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 2.96 110.269 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 451' ' ' TYR . . . . . 0.528 ' CE2' ' HB3' ' A' ' 422' ' ' PHE . 0.9 OUTLIER -106.65 137.35 44.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 3.79 110.977 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -116.25 90.43 3.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 3.7400000000000002 109.294 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -48.86 -24.44 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 5.3200000000000003 111.048 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 10.4 tp -42.28 -37.04 1.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 3.1400000000000001 109.321 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -166.29 32.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.534 1.146 . . . . 2.7999999999999998 109.333 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 41.0 69.22 0.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 4.1600000000000001 110.271 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.4 154.1 50.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 4.0599999999999996 110.334 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 458' ' ' ILE . . . . . 0.429 ' CD1' ' CA ' ' A' ' 424' ' ' GLY . 13.8 mt -117.41 102.38 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 2.48 109.276 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 3.2 t -126.24 39.11 4.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 3.3100000000000001 110.448 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.51 102.89 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 4.2999999999999998 109.341 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 14.6 p -133.95 119.82 19.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.092 . . . . 3.1600000000000001 110.41 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.37 178.8 7.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 3.1200000000000001 109.296 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.86 164.15 12.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.495 1.122 . . . . 3.4500000000000002 109.275 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 1.5 t -51.69 -47.26 63.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 2.6699999999999999 110.003 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 465' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 283' ' ' ASP . 8.8 p30 -92.1 59.98 3.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 2.9500000000000002 109.297 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 22.4 t -109.99 -12.46 14.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 3.1699999999999999 110.025 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -107.28 -36.19 6.6 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.958 -1.127 . . . . 4.9699999999999998 107.958 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 468' ' ' PHE . . . . . 0.429 ' CD1' HD22 ' A' ' 281' ' ' LEU . 64.6 t80 -47.75 -41.79 23.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 8.5999999999999996 110.923 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 121.18 43.18 0.44 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 3.1099999999999999 111.014 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 470' ' ' CYS . . . . . 1.206 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 108.288 -1.004 . . . . 3.5299999999999998 108.288 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 281' ' ' LEU . . . . . 0.564 HD23 ' CH2' ' A' ' 307' ' ' TRP . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.257 -0.646 . . . . 3.3900000000000001 109.257 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 282' ' ' CYS . . . . . 1.183 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 1.3 t -156.89 38.86 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 3.46 108.32 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -144.77 138.68 14.63 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 3.9399999999999999 109.24 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 80.63 2.39 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.422 1.749 . . . . 2.6800000000000002 110.983 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -174.43 49.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 3.0600000000000001 109.299 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.53 157.49 18.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.598 1.186 . . . . 4.3300000000000001 109.32 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 37.5 p -143.8 166.33 25.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 2.6899999999999999 109.982 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -131.58 172.11 12.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 4.0899999999999999 111.021 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.36 -52.45 2.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 2.2599999999999998 109.281 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -143.79 151.13 39.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 1.78 109.288 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 291' ' ' VAL . . . . . . . . . . . . . 9.0 t -140.75 140.44 33.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 3.1499999999999999 109.323 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 292' ' ' THR . . . . . 0.445 ' HB ' ' CB ' ' A' ' 335' ' ' ALA . 1.8 t -144.48 168.09 20.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 2.6800000000000002 110.41 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 293' ' ' THR . . . . . 0.457 ' O ' ' CG ' ' A' ' 337' ' ' GLU . 51.8 m -123.19 148.39 45.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 3.8900000000000001 110.383 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 294' ' ' VAL . . . . . 0.433 ' CG1' ' HB2' ' A' ' 297' ' ' LYS . 9.8 p -137.95 67.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 3.7400000000000002 109.319 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 94.4 -86.81 1.07 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.435 1.084 . . . . 2.0299999999999998 110.967 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -134.35 12.66 3.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 0.747 . . . . 3.3900000000000001 109.375 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . 0.433 ' HB2' ' CG1' ' A' ' 294' ' ' VAL . 9.5 mtmt -109.25 164.89 12.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 3.3100000000000001 109.351 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 298' ' ' ILE . . . . . 0.537 ' CD1' ' CZ ' ' A' ' 300' ' ' PHE . 2.4 pp -135.6 150.43 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 4.3200000000000003 109.217 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 299' ' ' PHE . . . . . 0.559 ' CE2' HD21 ' A' ' 308' ' ' LEU . 24.2 m-85 -140.7 119.03 12.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 4.4000000000000004 111.042 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 300' ' ' PHE . . . . . 0.537 ' CZ ' ' CD1' ' A' ' 298' ' ' ILE . 8.6 m-85 -106.5 108.71 20.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 3.6099999999999999 111.001 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -86.91 144.96 26.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 4.2199999999999998 111.021 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.15 -58.92 1.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 3.7000000000000002 109.315 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -166.33 -60.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 2.9399999999999999 109.271 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.44 -15.28 10.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 5.8099999999999996 110.262 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -122.77 165.36 16.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 3.6699999999999999 110.986 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 306' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -134.78 154.87 51.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 2.0299999999999998 110.961 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 307' ' ' TRP . . . . . 0.564 ' CH2' HD23 ' A' ' 281' ' ' LEU . 18.5 m0 -102.64 160.97 14.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 6.2000000000000002 108.034 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . 0.559 HD21 ' CE2' ' A' ' 299' ' ' PHE . 2.2 tm? -146.64 74.06 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 2.75 109.28 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 13.4 tptp -103.36 92.12 4.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 3.9100000000000001 109.343 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 310' ' ' VAL . . . . . 0.507 ' O ' ' CD ' ' A' ' 313' ' ' ARG . 0.6 OUTLIER -175.65 -179.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 2.8300000000000001 109.293 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 311' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 312' ' ' GLU . 14.2 t 40.28 90.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.579 1.174 . . . . 5.3200000000000003 110.032 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 312' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 311' ' ' SER . 0.4 OUTLIER 37.36 70.79 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 4.1799999999999997 110.283 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 313' ' ' ARG . . . . . 0.507 ' CD ' ' O ' ' A' ' 310' ' ' VAL . 0.1 OUTLIER -115.15 106.3 51.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 4.2000000000000002 110.307 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -10.61 21.23 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.529 1.805 . . . . 2.2000000000000002 110.98 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -166.23 160.08 15.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 4.75 109.289 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 24.8 p -77.19 163.94 26.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 2.1000000000000001 110.382 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 26.5 p -120.86 164.82 16.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 4.2599999999999998 109.997 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 95.2 t -148.98 90.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 2.7999999999999998 109.268 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -124.36 173.16 8.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 2.3100000000000001 109.307 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 1.5 tt -90.2 153.21 20.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.148 . . . . 2.9399999999999999 109.287 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 321' ' ' ILE . . . . . . . . . . . . . 2.2 mp -61.07 -67.44 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 2.3500000000000001 109.377 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.76 -33.33 1.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.165 . . . . 3.1400000000000001 109.989 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 3.3 t -44.08 -43.68 7.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 1.8300000000000001 109.991 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 2.2 mp -103.07 -79.05 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 2.9700000000000002 109.348 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -49.05 154.01 1.43 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 2.0899999999999999 108.017 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -80.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.469 1.773 . . . . 1.1699999999999999 111.006 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 327' ' ' THR . . . . . . . . . . . . . 5.0 t -123.7 97.73 5.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 2.3300000000000001 110.436 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -132.82 152.69 80.31 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 3.1699999999999999 109.342 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 329' ' ' PRO . . . . . 0.544 ' HG3' ' CE3' ' A' ' 353' ' ' TRP . 18.3 Cg_endo -75.0 132.22 15.17 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.513 1.796 . . . . 2.0600000000000001 111.035 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 7.3 p -97.08 150.06 21.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 2.2599999999999998 109.964 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 88.92 22.02 40.41 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.55 1.156 . . . . 1.47 111.014 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 1.9 mt -42.31 151.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 2.3900000000000001 109.318 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.37 -36.45 3.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 3.8799999999999999 110.335 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -132.6 110.32 10.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 1.9399999999999999 109.354 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . 0.445 ' CB ' ' HB ' ' A' ' 292' ' ' THR . . . -105.57 120.02 40.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.421 1.076 . . . . 2.1099999999999999 109.356 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 336' ' ' TYR . . . . . 0.428 ' CG ' ' N ' ' A' ' 337' ' ' GLU . 41.2 t80 -116.32 162.57 17.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.466 1.103 . . . . 5.0 111.065 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 337' ' ' GLU . . . . . 0.457 ' CG ' ' O ' ' A' ' 293' ' ' THR . 36.4 tp10 -133.09 130.02 38.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 3.8399999999999999 110.318 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 338' ' ' ILE . . . . . 0.472 ' CG2' ' HB2' ' A' ' 343' ' ' GLN . 9.1 tt -97.03 84.52 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.606 1.191 . . . . 5.5599999999999996 109.341 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.53 68.91 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 3.5800000000000001 110.345 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -157.57 -52.75 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 2.7000000000000002 109.251 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.63 8.42 44.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 5.5300000000000002 110.303 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 61.0 t30 55.38 68.78 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 2.2999999999999998 109.328 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . 0.472 ' HB2' ' CG2' ' A' ' 338' ' ' ILE . 34.3 mt-30 -145.08 178.96 7.67 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.458 1.099 . . . . 2.8700000000000001 110.29 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 344' ' ' VAL . . . . . . . . . . . . . 67.0 t -127.08 146.03 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 2.4900000000000002 109.262 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 345' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -126.77 129.28 48.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 3.9500000000000002 110.999 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -130.64 139.47 50.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.615 1.197 . . . . 2.9100000000000001 109.287 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -117.53 149.02 41.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 3.3900000000000001 111.025 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 348' ' ' LYS . . . . . 0.507 ' O ' ' C ' ' A' ' 349' ' ' ASP . 9.4 ttpt -124.46 59.62 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 6.2999999999999998 109.282 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . 0.507 ' C ' ' O ' ' A' ' 348' ' ' LYS . 20.8 m-20 32.0 49.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 6.7999999999999998 109.254 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 350' ' ' ASP . . . . . 0.461 ' O ' ' CG2' ' A' ' 368' ' ' ILE . 0.5 OUTLIER 162.4 -72.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.535 1.147 . . . . 4.1500000000000004 109.309 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 348' ' ' LYS . 16.3 mttt -104.53 159.14 15.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 3.79 109.296 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 352' ' ' TYR . . . . . 0.534 ' CD1' ' N ' ' A' ' 352' ' ' TYR . 2.1 p90 -146.36 128.02 15.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 4.0800000000000001 110.943 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 353' ' ' TRP . . . . . 0.544 ' CE3' ' HG3' ' A' ' 329' ' ' PRO . 3.1 m-90 -90.3 177.8 6.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 4.7400000000000002 108.031 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 354' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.5 114.83 7.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 3.9500000000000002 109.26 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 5.2 mp -87.85 101.78 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 2.75 109.288 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 356' ' ' SER . . . . . 0.407 ' HB2' ' NE2' ' A' ' 343' ' ' GLN . 0.4 OUTLIER -98.97 118.67 36.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 2.0499999999999998 110.02 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 60.69 37.07 19.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 3.4300000000000002 109.265 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 4.3 mt 68.92 35.61 2.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 5.1399999999999997 109.282 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.3 116.62 2.97 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 5.6699999999999999 110.345 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 360' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 123.72 8.12 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.576 1.829 . . . . 1.27 110.969 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -52.04 129.3 39.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 3.2799999999999998 110.309 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 143.55 29.25 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.414 1.744 . . . . 2.5299999999999998 110.988 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 363' ' ' ASN . . . . . . . . . . . . . 5.3 m120 60.04 61.49 1.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 4.4699999999999998 109.294 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 364' ' ' TYR . . . . . 0.525 ' CG ' ' HE3' ' A' ' 366' ' ' LYS . 0.2 OUTLIER -132.9 60.58 50.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 4.3600000000000003 110.934 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 365' ' ' PRO . . . . . 0.459 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -74.95 43.98 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 2.0499999999999998 110.976 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 366' ' ' LYS . . . . . 0.525 ' HE3' ' CG ' ' A' ' 364' ' ' TYR . 0.1 OUTLIER -44.8 141.1 2.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 3.6600000000000001 109.295 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -127.5 126.1 41.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 2.8300000000000001 109.97 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 368' ' ' ILE . . . . . 0.483 HG23 ' CD1' ' A' ' 352' ' ' TYR . 12.4 pt -64.62 -35.37 74.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.405 1.065 . . . . 2.6200000000000001 109.32 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -33.28 75.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 4.1500000000000004 109.563 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.98 -8.65 39.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 2.6899999999999999 109.994 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -89.04 7.61 33.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 6.3200000000000003 110.95 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . 124.55 -30.77 4.6 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.47 1.106 . . . . 4.6699999999999999 110.962 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 373' ' ' PHE . . . . . . . . . . . . . 69.6 t80 55.23 94.24 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.445 0.733 . . . . 5.9900000000000002 110.984 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 374' ' ' PRO . . . . . 0.56 ' HB3' ' CZ2' ' A' ' 401' ' ' TRP . 18.4 Cg_endo -75.09 -161.0 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 3.02 111.006 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 375' ' ' ASN . . . . . 0.466 ' O ' ' C ' ' A' ' 376' ' ' PHE . 83.4 m-20 -53.02 89.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 7.5800000000000001 109.26 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 376' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 374' ' ' PRO . 76.1 m-85 32.68 74.97 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 5.71 110.96 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 377' ' ' VAL . . . . . 0.471 ' CG2' ' HG2' ' A' ' 374' ' ' PRO . 95.4 t -118.76 81.85 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 4.1399999999999997 109.326 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.16 -19.61 13.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 5.6900000000000004 109.276 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -127.3 122.54 34.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 3.54 109.289 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 60.7 mt -100.94 157.49 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.445 1.09 . . . . 2.25 109.316 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -93.78 -49.56 5.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 2.27 109.343 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -158.43 164.48 36.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 1.6399999999999999 109.31 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 383' ' ' ALA . . . . . 0.553 ' HB2' ' CE1' ' A' ' 394' ' ' PHE . . . -154.42 123.76 6.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.579 1.175 . . . . 1.5800000000000001 109.32 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 385' ' ' PHE . 2.3 t -148.83 158.65 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 3.6000000000000001 109.349 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 385' ' ' PHE . . . . . 0.422 ' N ' ' CG1' ' A' ' 384' ' ' VAL . 69.1 t80 -87.98 155.08 20.01 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 3.48 110.956 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -119.3 102.87 47.91 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 2.8700000000000001 109.298 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 387' ' ' PRO . . . . . 0.413 ' C ' ' HG2' ' A' ' 388' ' ' ARG . 18.1 Cg_endo -75.02 49.6 2.3 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.506 1.793 . . . . 3.96 110.932 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 388' ' ' ARG . . . . . 0.413 ' HG2' ' C ' ' A' ' 387' ' ' PRO . 2.4 mmm180 -155.78 -39.52 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 3.7599999999999998 110.3 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -103.32 -1.39 28.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 4.2400000000000002 110.978 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 52.79 34.97 17.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 4.3499999999999996 110.973 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -140.43 159.85 41.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 4.6399999999999997 110.267 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 93.5 m -97.27 116.23 29.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 1.74 110.37 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -84.02 101.06 11.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 3.0600000000000001 111.081 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 394' ' ' PHE . . . . . 0.553 ' CE1' ' HB2' ' A' ' 383' ' ' ALA . 37.1 m-85 -97.13 131.55 43.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 3.5299999999999998 110.974 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -102.83 115.98 31.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 1.6000000000000001 110.999 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 396' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 398' ' ' ASN . 11.4 t -109.98 92.92 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 3.04 109.231 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 59.0 -88.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 3.6600000000000001 109.265 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 396' ' ' VAL . 48.4 t-20 -135.59 49.94 2.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 4.0899999999999999 109.345 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -149.76 161.0 43.1 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.488 1.117 . . . . 3.5299999999999998 110.308 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 400' ' ' TYR . . . . . 0.563 ' CE2' ' HA ' ' A' ' 418' ' ' ILE . 0.1 OUTLIER -120.32 110.55 16.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 5.6500000000000004 111.009 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 401' ' ' TRP . . . . . 0.56 ' CZ2' ' HB3' ' A' ' 374' ' ' PRO . 3.9 m95 -113.75 94.67 4.95 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.982 -1.118 . . . . 7.0700000000000003 107.982 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.57 121.77 28.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 4.2199999999999998 110.303 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -99.85 158.3 15.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 6.6600000000000001 110.95 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -99.8 122.72 43.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 2.5600000000000001 109.306 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.11 -54.31 4.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 3.3900000000000001 110.28 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -32.63 74.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 5.79 110.328 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.27 -43.77 11.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 3.5600000000000001 110.285 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 75.97 42.8 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 2.9500000000000002 110.284 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -145.64 107.42 4.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 2.9199999999999999 111.016 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.26 127.92 34.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 2.9700000000000002 111.077 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.74 137.4 24.85 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 2.8999999999999999 109.298 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 114.96 4.15 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.452 1.764 . . . . 2.79 110.964 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 44.34 95.31 0.01 OUTLIER Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.534 1.146 . . . . 2.23 110.952 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 414' ' ' TYR . . . . . 0.444 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 1.7 t80 -134.02 63.16 61.09 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.556 0.797 . . . . 2.7200000000000002 110.953 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 415' ' ' PRO . . . . . 0.417 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -75.0 76.41 3.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 1.8999999999999999 111.037 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . 0.444 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 23.3 mmtt -89.13 -170.78 3.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 3.3799999999999999 109.256 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.44 139.64 44.27 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.508 1.13 . . . . 3.4700000000000002 109.244 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 418' ' ' ILE . . . . . 0.563 ' HA ' ' CE2' ' A' ' 400' ' ' TYR . 7.4 mt -70.32 -66.13 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 2.3399999999999999 109.323 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 419' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 422' ' ' PHE . 5.5 t -44.67 -47.56 10.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 2.3199999999999998 110.343 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -58.35 -74.7 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.097 . . . . 2.6000000000000001 109.35 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -40.22 -40.54 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 4.2699999999999996 109.27 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 422' ' ' PHE . . . . . 0.565 ' CE2' ' HG2' ' A' ' 456' ' ' GLN . 24.5 m-85 -142.73 118.55 10.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 4.6200000000000001 111.008 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -98.68 115.09 27.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 2.9500000000000002 110.326 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 157.68 -35.76 0.54 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.533 1.146 . . . . 1.6200000000000001 111.014 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 425' ' ' ILE . . . . . 0.568 HG23 ' CE2' ' A' ' 451' ' ' TYR . 0.0 OUTLIER -86.81 -36.95 10.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.569 0.805 . . . . 3.5099999999999998 109.261 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 111.65 174.2 19.73 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.532 1.145 . . . . 1.3 110.978 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . 0.402 ' N ' ' HB ' ' A' ' 419' ' ' THR . 18.5 Cg_endo -74.97 -20.3 17.07 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.481 1.779 . . . . 1.3799999999999999 111.048 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -122.47 142.18 50.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 3.9700000000000002 109.289 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 429' ' ' ILE . . . . . 0.56 HG12 ' CD1' ' A' ' 442' ' ' PHE . 2.6 tp -138.05 130.84 40.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.443 1.089 . . . . 2.5600000000000001 109.322 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 430' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 443' ' ' PHE . 4.1 t0 -71.82 -68.18 0.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 2.2400000000000002 109.25 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -158.48 174.51 14.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 2.3399999999999999 109.256 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.569 ' HB ' ' CD1' ' A' ' 442' ' ' PHE . 0.7 OUTLIER -159.8 164.2 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 3.4199999999999999 109.344 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 433' ' ' PHE . . . . . 0.496 ' N ' ' CG2' ' A' ' 432' ' ' VAL . 4.7 p90 -152.69 145.74 24.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 3.8700000000000001 111.006 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 434' ' ' TYR . . . . . 0.427 ' O ' ' CG ' ' A' ' 434' ' ' TYR . 22.2 t80 -109.35 80.2 1.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 4.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 22.6 t -112.27 -19.06 12.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 3.5 110.061 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 436' ' ' LYS . . . . . 0.583 ' HG2' ' CE1' ' A' ' 441' ' ' TYR . 0.1 OUTLIER -65.13 -168.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 6.5800000000000001 109.313 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -85.46 -46.54 10.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 4.1200000000000001 109.308 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 438' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 438' ' ' LYS . 3.8 tppp? -163.74 61.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 4.8300000000000001 109.279 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -146.27 176.38 9.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 3.4199999999999999 111.034 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -134.14 103.05 5.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 4.5199999999999996 110.995 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 441' ' ' TYR . . . . . 0.583 ' CE1' ' HG2' ' A' ' 436' ' ' LYS . 4.3 m-85 -93.21 117.72 30.4 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.112 . . . . 4.0300000000000002 110.979 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . 0.569 ' CD1' ' HB ' ' A' ' 432' ' ' VAL . 50.2 m-85 -110.16 142.89 41.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 4.21 110.973 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 443' ' ' PHE . . . . . 0.538 ' CZ ' ' HG3' ' A' ' 448' ' ' GLN . 17.6 m-85 -111.88 108.72 18.2 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.461 1.101 . . . . 5.3600000000000003 110.969 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -110.19 80.24 1.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 3.9500000000000002 110.316 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 84.72 -116.09 4.22 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.562 1.164 . . . . 2.0499999999999998 110.993 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 17.7 p -109.72 43.83 1.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 0.791 . . . . 2.7000000000000002 110.048 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -150.03 138.75 20.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 2.8500000000000001 109.325 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 448' ' ' GLN . . . . . 0.538 ' HG3' ' CZ ' ' A' ' 443' ' ' PHE . 0.1 OUTLIER -124.39 94.76 4.3 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.48 1.112 . . . . 4.3600000000000003 110.263 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 449' ' ' PHE . . . . . 0.556 ' HB2' ' CE1' ' A' ' 451' ' ' TYR . 73.5 m-85 -80.69 143.45 33.01 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.508 1.13 . . . . 4.29 111.044 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . 0.532 ' HG2' ' CZ ' ' A' ' 441' ' ' TYR . 1.2 mt-10 -100.68 106.03 17.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 5.79 110.353 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 451' ' ' TYR . . . . . 0.568 ' CE2' HG23 ' A' ' 425' ' ' ILE . 36.2 m-85 -98.41 172.05 7.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 9.3100000000000005 111.037 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -154.72 93.23 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 2.9399999999999999 109.237 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . 0.5 ' C ' ' CD1' ' A' ' 453' ' ' PHE . 2.2 t80 -49.24 -20.6 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 5.6299999999999999 110.999 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 49.2 tp -42.69 -27.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.598 1.186 . . . . 4.4000000000000004 109.324 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.437 ' N ' ' C ' ' A' ' 453' ' ' PHE . 1.8 pt? -161.29 27.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 3.6499999999999999 109.295 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 456' ' ' GLN . . . . . 0.565 ' HG2' ' CE2' ' A' ' 422' ' ' PHE . 9.7 mp0 39.24 61.15 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 4.4000000000000004 110.306 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -146.0 151.72 38.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 6.1200000000000001 110.295 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 4.0 mt -92.63 147.65 5.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 2.52 109.32 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.29 -39.99 4.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 3.6499999999999999 110.413 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 460' ' ' LYS . . . . . 0.46 ' C ' ' CG2' ' A' ' 461' ' ' THR . 0.0 OUTLIER -158.75 176.34 12.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 6.1299999999999999 109.25 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 461' ' ' THR . . . . . 0.46 ' CG2' ' C ' ' A' ' 460' ' ' LYS . 5.8 p -150.68 122.41 8.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.581 1.176 . . . . 3.6400000000000001 110.385 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -125.63 161.31 27.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 2.73 109.339 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.44 148.78 25.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 3.2599999999999998 109.35 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 3.1 t -47.17 -28.57 1.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 2.2400000000000002 109.951 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -96.46 58.18 1.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 3.3599999999999999 109.272 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.73 -9.75 11.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 3.3300000000000001 110.01 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 17.2 m95 -105.8 -58.89 1.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.999 -1.111 . . . . 4.9199999999999999 107.999 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 468' ' ' PHE . . . . . 0.524 ' CD1' ' HB2' ' A' ' 470' ' ' CYS . 2.7 t80 -42.22 -50.4 4.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 8.3800000000000008 110.958 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 123.49 44.37 0.32 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.555 1.159 . . . . 2.8500000000000001 110.995 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 470' ' ' CYS . . . . . 1.183 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 N-CA-C 108.306 -0.998 . . . . 3.6699999999999999 108.306 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 281' ' ' LEU . . . . . 0.562 HD21 ' CE2' ' A' ' 468' ' ' PHE . 14.4 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.331 -0.618 . . . . 4.3799999999999999 109.331 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 282' ' ' CYS . . . . . 1.064 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 0.8 OUTLIER 159.28 51.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.445 1.091 . . . . 3.4399999999999999 108.282 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -178.79 123.78 0.24 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 3.0299999999999998 109.298 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 87.06 1.36 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.519 1.8 . . . . 2.2000000000000002 111.039 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 285' ' ' ASN . . . . . 0.566 ' N ' HD21 ' A' ' 285' ' ' ASN . 0.0 OUTLIER 178.96 45.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 3.48 109.283 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 3.1 tp -92.25 141.34 28.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 3.46 109.249 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 35.0 p -128.45 148.92 50.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 2.1299999999999999 109.939 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -128.13 178.44 6.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.557 1.161 . . . . 4.1200000000000001 110.965 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -106.21 -50.81 3.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 2.7799999999999998 109.278 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -143.74 137.0 27.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 1.6899999999999999 109.331 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 291' ' ' VAL . . . . . 0.443 HG12 ' CE1' ' A' ' 433' ' ' PHE . 97.2 t -130.79 131.36 64.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 3.7400000000000002 109.327 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 6.0 t -154.62 158.08 39.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 2.4300000000000002 110.379 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 293' ' ' THR . . . . . 0.466 ' CB ' ' HB2' ' A' ' 435' ' ' SER . 14.6 t -106.47 160.03 15.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 3.21 110.38 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 294' ' ' VAL . . . . . 0.49 HG23 ' CE1' ' A' ' 299' ' ' PHE . 21.2 m -149.26 70.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.575 1.172 . . . . 4.8399999999999999 109.314 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 295' ' ' GLY . . . . . 0.475 ' O ' ' CB ' ' A' ' 296' ' ' ASN . . . 78.08 48.46 7.62 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.424 1.077 . . . . 3.4199999999999999 110.965 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 296' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 295' ' ' GLY . 0.2 OUTLIER 80.17 4.51 1.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.759 . . . . 4.25 109.303 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 3.8 mtmm -99.71 115.17 28.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 3.3700000000000001 109.263 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -86.44 133.52 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 4.8600000000000003 109.233 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 299' ' ' PHE . . . . . 0.49 ' CE1' HG23 ' A' ' 294' ' ' VAL . 6.0 m-85 -127.32 83.67 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 4.3899999999999997 110.971 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 300' ' ' PHE . . . . . 0.424 ' HB2' ' CB ' ' A' ' 307' ' ' TRP . 16.2 m-85 -83.64 104.67 13.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 5.2199999999999998 110.993 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -81.52 143.5 31.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 3.54 111.043 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 11.6 mmtp -109.42 -60.49 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 5.25 109.318 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -166.15 -60.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 2.71 109.309 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.03 -18.53 11.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 5.1200000000000001 110.279 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -124.2 166.92 15.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 3.6899999999999999 110.982 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 306' ' ' PHE . . . . . 0.524 ' CE2' ' HB3' ' A' ' 319' ' ' ASN . 25.2 p90 -121.54 171.04 9.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 2.1499999999999999 110.992 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 307' ' ' TRP . . . . . 0.577 ' CZ2' ' OG1' ' A' ' 316' ' ' THR . 0.0 OUTLIER -119.41 139.43 52.04 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.009 -1.108 . . . . 6.7199999999999998 108.009 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 56.3 tp -146.71 112.76 5.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 3.3999999999999999 109.355 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.83 105.32 2.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 3.5699999999999998 109.332 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 310' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 311' ' ' SER . 0.3 OUTLIER -170.65 -73.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 3.0 109.259 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 311' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 310' ' ' VAL . 31.1 t -36.15 -76.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.598 1.186 . . . . 4.8899999999999997 110.05 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.03 76.15 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 7.2000000000000002 110.3 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.3 132.1 23.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 5.0300000000000002 110.264 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.57 3.7 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.498 1.788 . . . . 3.4300000000000002 111.031 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 315' ' ' LYS . . . . . 0.403 ' HG2' ' CE2' ' A' ' 468' ' ' PHE . 0.0 OUTLIER -142.09 164.72 29.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 4.4199999999999999 109.286 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 316' ' ' THR . . . . . 0.577 ' OG1' ' CZ2' ' A' ' 307' ' ' TRP . 62.8 p -82.38 126.64 32.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 2.1800000000000002 110.429 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 16.8 m -99.83 141.73 32.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 3.1200000000000001 109.989 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 11.8 m -103.57 70.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 3.5800000000000001 109.261 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 319' ' ' ASN . . . . . 0.524 ' HB3' ' CE2' ' A' ' 306' ' ' PHE . 2.3 m-20 -81.62 162.87 22.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 3.25 109.318 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.99 153.51 20.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 2.8999999999999999 109.269 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 321' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.13 -68.34 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 2.1299999999999999 109.318 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 32.4 t -40.67 -33.05 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 3.3199999999999998 109.962 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 1.4 t -44.19 -44.24 7.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 1.8899999999999999 110.011 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 7.2 mt -102.23 -79.83 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 3.4300000000000002 109.303 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -47.45 151.71 1.33 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 2.0699999999999998 108.026 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 -76.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.527 1.804 . . . . 1.72 111.006 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 327' ' ' THR . . . . . . . . . . . . . 10.0 t -122.85 95.95 4.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 2.2599999999999998 110.416 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -130.22 155.4 80.91 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 2.7599999999999998 109.25 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 329' ' ' PRO . . . . . 0.406 ' HG2' ' CD1' ' A' ' 332' ' ' ILE . 18.3 Cg_endo -74.97 125.06 9.1 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.539 1.81 . . . . 2.1899999999999999 110.991 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 66.5 m -81.46 142.99 32.41 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.515 1.135 . . . . 2.52 110.003 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 76.16 40.85 28.3 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.123 . . . . 1.24 110.955 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.406 ' CD1' ' HG2' ' A' ' 329' ' ' PRO . 33.2 mm -41.84 152.97 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 3.4500000000000002 109.35 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -100.26 -47.67 4.86 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.437 1.086 . . . . 3.3999999999999999 110.291 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -144.85 118.62 9.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 2.0800000000000001 109.292 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -114.12 136.95 52.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 1.8999999999999999 109.3 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 336' ' ' TYR . . . . . 0.517 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 9.8 p90 -154.93 126.22 7.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 4.0199999999999996 111.006 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.81 150.61 20.51 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 1.149 . . . . 3.8100000000000001 110.306 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 338' ' ' ILE . . . . . 0.558 HD11 ' CD1' ' A' ' 385' ' ' PHE . 13.9 tt -119.37 102.23 12.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 3.9100000000000001 109.294 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -78.2 81.71 4.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 4.0899999999999999 110.306 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -163.01 -59.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 2.7599999999999998 109.323 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -103.86 0.55 30.38 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.417 1.073 . . . . 6.5499999999999998 110.311 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 2.6 t30 60.01 56.57 3.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 2.73 109.333 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -124.99 131.34 53.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 2.75 110.334 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 344' ' ' VAL . . . . . 0.545 ' CG1' ' CD2' ' A' ' 346' ' ' LEU . 17.9 t -96.7 141.86 14.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.415 1.072 . . . . 2.29 109.327 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 345' ' ' PHE . . . . . 0.418 ' N ' HG13 ' A' ' 344' ' ' VAL . 37.0 m-85 -126.2 125.42 42.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 4.54 111.004 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . 0.545 ' CD2' ' CG1' ' A' ' 344' ' ' VAL . 4.1 mm? -123.82 114.31 19.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 2.3300000000000001 109.259 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -88.24 141.37 28.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 3.3100000000000001 111.011 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 348' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.0 OUTLIER -161.4 114.91 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 4.2800000000000002 109.277 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 55.49 -149.35 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 4.2999999999999998 109.287 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 350' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 12.0 p-10 -88.71 41.05 1.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 3.0 109.357 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 348' ' ' LYS . 25.9 mtmt -155.87 153.32 29.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 3.2400000000000002 109.341 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 352' ' ' TYR . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 366' ' ' LYS . 24.3 p90 -145.38 138.63 26.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 3.8700000000000001 111.04 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -97.81 166.59 11.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 4.8899999999999997 107.98 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 354' ' ' LEU . . . . . . . . . . . . . 4.6 tp -132.18 120.45 22.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 3.1400000000000001 109.268 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 4.6 mp -97.73 99.03 8.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 2.6000000000000001 109.311 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 15.1 t -102.13 125.71 48.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 3.23 109.988 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 60.57 42.4 14.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 4.6200000000000001 109.291 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 1.9 mt 59.54 39.8 21.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 5.7800000000000002 109.27 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -152.4 122.46 3.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 5.6799999999999997 110.329 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 360' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 361' ' ' GLU . 18.2 Cg_endo -74.98 111.32 3.3 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.775 . . . . 1.3700000000000001 110.921 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 361' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 360' ' ' PRO . 3.6 mm-40 -36.96 126.79 0.78 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.102 . . . . 3.0600000000000001 110.277 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 128.49 11.58 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.431 1.753 . . . . 2.4100000000000001 110.986 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 363' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 62.55 60.49 1.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 4.3899999999999997 109.321 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 364' ' ' TYR . . . . . 0.511 ' N ' ' HD3' ' A' ' 365' ' ' PRO . 1.4 t80 -135.27 58.09 24.3 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 3.7599999999999998 110.967 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 365' ' ' PRO . . . . . 0.511 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.1 Cg_endo -75.01 53.16 3.26 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.502 1.79 . . . . 1.6799999999999999 110.936 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 366' ' ' LYS . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 352' ' ' TYR . 9.3 mmpt? -48.77 133.68 17.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.451 1.094 . . . . 3.73 109.325 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 3.7 m -115.39 127.72 55.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 3.2200000000000002 110.071 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 368' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 372' ' ' GLY . 20.7 pt -49.52 -29.81 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 2.6299999999999999 109.306 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 369' ' ' HIS . . . . . 0.473 ' HA ' ' CB ' ' A' ' 373' ' ' PHE . 53.1 t-80 -60.66 -32.22 71.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 4.7599999999999998 109.597 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 4.4 p -48.46 -22.93 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 4.2599999999999998 110.036 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 175.52 59.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 7.71 110.922 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 372' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 368' ' ' ILE . . . -170.42 -68.01 0.04 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.453 1.096 . . . . 2.8999999999999999 110.985 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 373' ' ' PHE . . . . . 0.485 ' CZ ' ' O ' ' A' ' 377' ' ' VAL . 2.5 t80 -44.42 102.94 0.31 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.436 0.727 . . . . 8.5700000000000003 111.004 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 374' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -62.51 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.521 1.801 . . . . 3.73 111.038 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 2.0 t30 169.66 43.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 8.1899999999999995 109.343 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 376' ' ' PHE . . . . . 0.417 ' O ' ' O ' ' A' ' 377' ' ' VAL . 3.0 t80 -166.18 -54.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 5.9900000000000002 111.01 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 377' ' ' VAL . . . . . 0.485 ' O ' ' CZ ' ' A' ' 373' ' ' PHE . 2.2 p -42.87 164.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 3.1099999999999999 109.216 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.38 -38.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 4.9500000000000002 109.29 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.29 131.11 25.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 2.5600000000000001 109.289 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 13.8 mt -100.62 146.71 8.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 1.8500000000000001 109.282 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.1 -46.02 9.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 2.2999999999999998 109.315 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 382' ' ' ALA . . . . . 0.456 ' HB2' ' CG2' ' A' ' 432' ' ' VAL . . . -156.62 165.04 37.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 2.0499999999999998 109.261 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -167.1 132.33 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 2.7799999999999998 109.297 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 8.0 p -134.28 168.94 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 3.2599999999999998 109.294 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 385' ' ' PHE . . . . . 0.558 ' CD1' HD11 ' A' ' 338' ' ' ILE . 22.7 t80 -125.11 136.41 53.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.133 . . . . 2.29 111.002 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 386' ' ' ASN . . . . . 0.433 ' HB3' ' CB ' ' A' ' 389' ' ' PHE . 0.6 OUTLIER -101.47 122.37 48.22 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 3.0600000000000001 109.333 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -33.02 4.92 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.468 1.773 . . . . 2.1800000000000002 111.058 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.06 26.08 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 3.8799999999999999 110.26 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 389' ' ' PHE . . . . . 0.593 ' C ' ' CG ' ' A' ' 390' ' ' TYR . 2.2 t80 -151.87 -37.01 0.12 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.396 1.06 . . . . 5.5700000000000003 111.027 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 390' ' ' TYR . . . . . 0.593 ' CG ' ' C ' ' A' ' 389' ' ' PHE . 2.0 m-85 73.51 46.11 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 3.1499999999999999 110.956 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 391' ' ' ARG . . . . . 0.453 ' NH1' ' OD2' ' A' ' 404' ' ' ASP . 22.2 mtt-85 -148.52 156.29 42.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 6.1900000000000004 110.372 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 20.4 m -117.27 122.44 43.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 2.3300000000000001 110.446 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -78.79 153.07 31.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 3.4300000000000002 111.01 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -128.03 110.29 12.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 4.1699999999999999 110.945 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -97.48 116.09 29.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 1.3899999999999999 110.972 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 95.7 t -135.55 124.04 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 3.0800000000000001 109.313 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 1.5 t0 47.18 -149.95 0.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 4.9699999999999998 109.274 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . 0.487 ' O ' ' CD1' ' A' ' 417' ' ' LEU . 4.8 m120 -84.01 50.01 1.75 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.519 1.137 . . . . 4.8899999999999997 109.321 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -144.52 155.44 43.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 4.6100000000000003 110.244 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -121.7 119.33 31.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 3.5499999999999998 110.949 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -115.38 166.7 11.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 7.3200000000000003 108.034 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -155.35 129.1 8.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.406 1.066 . . . . 3.6200000000000001 110.377 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -108.18 148.95 29.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 5.1799999999999997 111.015 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 404' ' ' ASP . . . . . 0.453 ' OD2' ' NH1' ' A' ' 391' ' ' ARG . 0.2 OUTLIER -95.45 129.23 42.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.148 . . . . 2.52 109.323 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -89.75 -48.35 7.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 3.1099999999999999 110.317 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -62.55 -67.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 8.2799999999999994 110.272 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -59.7 -41.71 91.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 3.0800000000000001 110.279 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 74.09 46.77 0.17 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.15 . . . . 5.1600000000000001 110.353 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 11.0 tpt -143.98 102.81 3.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.138 . . . . 4.0700000000000003 110.999 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.83 127.01 19.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 3.1800000000000002 111.046 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 12.4 p30 -48.15 135.78 11.76 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 5.0700000000000003 109.255 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 108.23 2.67 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 2.6000000000000001 110.994 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 50.14 101.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.548 1.155 . . . . 2.0800000000000001 111.005 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 414' ' ' TYR . . . . . 0.544 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 2.6 t80 -137.39 63.02 40.12 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.428 0.722 . . . . 2.2599999999999998 110.982 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 415' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.5 Cg_endo -74.94 69.01 5.61 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.515 1.797 . . . . 1.8600000000000001 111.012 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . 0.544 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 2.1 mmtm -87.94 -171.2 3.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 4.7800000000000002 109.286 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 417' ' ' LEU . . . . . 0.487 ' CD1' ' O ' ' A' ' 398' ' ' ASN . 9.7 tp -130.79 142.99 50.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 3.5600000000000001 109.347 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 418' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 419' ' ' THR . 1.5 mp -70.25 -72.59 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.585 1.178 . . . . 2.0699999999999998 109.297 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 419' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 418' ' ' ILE . 0.2 OUTLIER -33.53 -44.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 2.3300000000000001 110.449 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -58.35 -67.57 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 2.2799999999999998 109.27 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -41.95 -50.84 4.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 2.9900000000000002 109.271 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 422' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -130.1 106.72 8.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 4.0 111.053 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -84.57 109.23 17.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 2.4500000000000002 110.257 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 146.92 -28.51 1.57 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.546 1.153 . . . . 1.3100000000000001 110.964 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 425' ' ' ILE . . . . . 0.421 ' CD1' HG22 ' A' ' 418' ' ' ILE . 51.0 pt -81.85 -42.75 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 3.2000000000000002 109.338 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 426' ' ' GLY . . . . . 0.41 ' N ' HG13 ' A' ' 425' ' ' ILE . . . 120.95 170.98 14.21 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.573 1.171 . . . . 1.1100000000000001 110.932 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . 0.442 ' O ' ' CD1' ' A' ' 418' ' ' ILE . 18.5 Cg_endo -74.94 -30.21 7.52 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.472 1.775 . . . . 1.5900000000000001 111.021 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.34 146.82 38.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 3.46 109.322 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 11.1 tp -132.21 157.69 43.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 2.6899999999999999 109.321 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.63 -69.44 0.86 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 2.1600000000000001 109.252 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 431' ' ' ALA . . . . . 0.484 ' O ' ' CG1' ' A' ' 432' ' ' VAL . . . -131.02 158.03 41.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 2.1600000000000001 109.297 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' A' ' 431' ' ' ALA . 27.0 m -157.34 137.09 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.567 1.167 . . . . 4.0300000000000002 109.268 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 433' ' ' PHE . . . . . 0.443 ' CE1' HG12 ' A' ' 291' ' ' VAL . 23.6 p90 -153.64 172.92 16.48 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.447 1.092 . . . . 4.3200000000000003 110.955 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -121.72 100.21 6.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 5.1600000000000001 111.014 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 435' ' ' SER . . . . . 0.466 ' HB2' ' CB ' ' A' ' 293' ' ' THR . 0.4 OUTLIER -112.68 -27.8 8.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 2.6699999999999999 110.032 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 436' ' ' LYS . . . . . 0.431 ' HG2' ' CE2' ' A' ' 441' ' ' TYR . 7.9 mmtt -66.6 -169.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 4.6200000000000001 109.328 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -89.45 -45.36 9.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 4.6900000000000004 109.266 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 438' ' ' LYS . . . . . 0.59 ' O ' ' CD1' ' A' ' 439' ' ' TYR . 0.0 OUTLIER -153.61 63.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 4.8899999999999997 109.27 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 439' ' ' TYR . . . . . 0.59 ' CD1' ' O ' ' A' ' 438' ' ' LYS . 18.8 m-85 -148.64 -179.65 7.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 4.1299999999999999 111.006 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -134.14 123.98 25.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 4.1799999999999997 111.025 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 441' ' ' TYR . . . . . 0.577 ' CE1' ' HG3' ' A' ' 450' ' ' GLU . 4.2 m-85 -97.21 124.7 41.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 4.0 110.967 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -129.56 142.07 50.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 4.5099999999999998 111.029 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 443' ' ' PHE . . . . . 0.551 ' C ' ' CD1' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -148.82 145.25 27.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 6.2999999999999998 110.945 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -157.22 92.29 1.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 6.8200000000000003 110.3 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 119.85 -83.04 0.35 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 1.76 110.98 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 4.9 p -162.08 41.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 2.6200000000000001 110.066 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -141.21 136.86 32.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 2.3300000000000001 109.323 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -113.88 96.68 5.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 3.46 110.338 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 449' ' ' PHE . . . . . 0.523 ' CE1' HG23 ' A' ' 461' ' ' THR . 76.8 m-85 -99.64 148.47 24.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 4.3399999999999999 111.036 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . 0.577 ' HG3' ' CE1' ' A' ' 441' ' ' TYR . 0.3 OUTLIER -127.44 126.96 43.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 3.5499999999999998 110.274 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 451' ' ' TYR . . . . . 0.404 ' O ' ' OE1' ' A' ' 450' ' ' GLU . 0.5 OUTLIER -89.3 164.22 15.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 4.04 111.001 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -141.98 106.85 4.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 3.5099999999999998 109.315 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -57.91 -20.1 34.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 4.71 110.973 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 18.6 tp -42.23 -38.36 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 3.3700000000000001 109.308 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.459 ' N ' ' CD2' ' A' ' 455' ' ' LEU . 1.5 pt? -170.71 33.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 3.8900000000000001 109.24 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 49.39 56.03 8.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 3.6200000000000001 110.281 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.92 129.62 52.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.15 . . . . 6.2199999999999998 110.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 90.6 mt -98.19 102.47 13.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 2.7799999999999998 109.272 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 19.7 p -107.53 51.3 0.75 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 3.9199999999999999 110.46 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.5 114.34 2.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 4.96 109.292 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 461' ' ' THR . . . . . 0.523 HG23 ' CE1' ' A' ' 449' ' ' PHE . 21.8 p -142.74 71.96 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 3.5 110.437 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -106.88 162.97 13.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 3.1800000000000002 109.265 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.45 149.8 21.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 3.3300000000000001 109.321 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 47.4 t -41.1 -49.42 3.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 2.2999999999999998 109.954 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 50.4 m-20 -88.16 62.88 6.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 3.1499999999999999 109.274 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 2.6 t -113.29 -13.04 12.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 3.3100000000000001 109.981 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -104.23 -49.07 3.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 5.5899999999999999 108.059 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 468' ' ' PHE . . . . . 0.562 ' CE2' HD21 ' A' ' 281' ' ' LEU . 8.8 t80 -48.53 -53.15 19.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 8.7200000000000006 110.96 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 110.54 71.68 0.66 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.559 1.162 . . . . 2.7400000000000002 110.943 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 470' ' ' CYS . . . . . 1.064 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 N-CA-C 108.305 -0.998 . . . . 3.3399999999999999 108.305 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 281' ' ' LEU . . . . . 0.498 HD11 ' CZ2' ' A' ' 307' ' ' TRP . 12.2 mt . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.286 -0.635 . . . . 2.96 109.286 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 282' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.94 -60.21 1.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 3.3999999999999999 108.265 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -60.18 138.03 91.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 3.5899999999999999 109.371 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 85.03 1.58 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.474 1.776 . . . . 2.8100000000000001 110.979 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 285' ' ' ASN . . . . . 0.421 ' N ' HD21 ' A' ' 285' ' ' ASN . 0.4 OUTLIER -164.71 34.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 3.8199999999999998 109.276 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 4.0 tp -103.93 140.22 38.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 3.8100000000000001 109.295 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 38.5 p -146.18 164.93 30.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 2.0600000000000001 109.974 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -129.17 176.63 7.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 2.8399999999999999 111.011 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -118.3 -54.12 2.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 2.1699999999999999 109.235 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 290' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 333' ' ' GLU . . . -153.34 155.11 35.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 2.2999999999999998 109.362 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 291' ' ' VAL . . . . . 0.586 HG23 ' CZ ' ' A' ' 442' ' ' PHE . 13.7 m -147.12 160.49 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 3.52 109.274 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 292' ' ' THR . . . . . 0.467 ' HB ' ' CB ' ' A' ' 335' ' ' ALA . 4.7 t -153.3 133.86 13.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 2.6200000000000001 110.361 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -102.18 141.89 34.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.561 1.163 . . . . 2.6499999999999999 110.424 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 53.0 t -141.34 83.71 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 2.9500000000000002 109.26 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 98.06 -114.71 5.08 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.454 1.096 . . . . 1.5700000000000001 111.057 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -116.53 14.5 15.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 0.745 . . . . 3.46 109.366 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -117.43 147.94 42.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 4.4199999999999999 109.318 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 6.4 mm -117.18 158.9 17.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 5.1900000000000004 109.281 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -133.08 124.24 27.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 3.98 111.032 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 300' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -114.34 126.67 55.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 3.8599999999999999 111.024 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -113.64 150.51 33.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 3.2599999999999998 110.995 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 302' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 305' ' ' PHE . 0.0 OUTLIER -149.08 87.63 1.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 3.5 109.343 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 66.9 -78.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 2.7200000000000002 109.32 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.44 -36.34 2.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.4 1.063 . . . . 6.3200000000000003 110.328 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 305' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 302' ' ' LYS . 46.2 m-85 -86.08 144.67 27.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 4.3399999999999999 110.986 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 306' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -123.42 135.3 54.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 2.1499999999999999 111.003 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 307' ' ' TRP . . . . . 0.51 ' CZ3' ' N ' ' A' ' 318' ' ' VAL . 1.3 m95 -87.84 169.7 11.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 7.6699999999999999 108.074 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.27 116.6 3.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 2.8700000000000001 109.344 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -151.1 95.25 2.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.428 1.08 . . . . 3.0099999999999998 109.314 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 310' ' ' VAL . . . . . 0.4 ' CG2' ' N ' ' A' ' 311' ' ' SER . 7.1 p -175.46 168.92 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 2.98 109.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 311' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 312' ' ' GLU . 34.2 t 45.05 90.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 4.4000000000000004 109.985 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 312' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 311' ' ' SER . 8.3 pt-20 35.74 73.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 4.5700000000000003 110.32 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 313' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 310' ' ' VAL . 0.0 OUTLIER -115.72 103.3 53.88 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 4.7199999999999998 110.263 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -26.44 11.09 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.463 1.77 . . . . 2.3199999999999998 111.006 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -150.03 146.14 26.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 4.8300000000000001 109.316 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 316' ' ' THR . . . . . 0.461 ' OG1' ' CZ3' ' A' ' 307' ' ' TRP . 10.7 p -83.69 158.37 21.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 1.9199999999999999 110.407 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.98 116.23 18.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.457 1.098 . . . . 2.5600000000000001 110.01 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 318' ' ' VAL . . . . . 0.51 ' N ' ' CZ3' ' A' ' 307' ' ' TRP . 7.9 p -98.67 100.14 9.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 4.2300000000000004 109.244 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -122.62 175.97 6.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 2.6299999999999999 109.305 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.49 160.72 20.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.085 . . . . 2.6699999999999999 109.355 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 321' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 322' ' ' SER . 8.3 mt -70.2 -60.82 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 2.29 109.317 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 322' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 325' ' ' TRP . 4.3 m -38.04 -47.03 1.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 2.5699999999999998 110.049 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 17.5 m -39.79 -38.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 2.3900000000000001 110.028 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.21 -85.6 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 3.8799999999999999 109.25 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 325' ' ' TRP . . . . . 0.534 ' CE3' ' HG ' ' A' ' 328' ' ' LEU . 0.1 OUTLIER -58.72 151.09 54.74 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 2.5299999999999998 107.967 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -66.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 1.1699999999999999 111.009 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 327' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.72 94.34 4.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 2.8799999999999999 110.356 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 328' ' ' LEU . . . . . 0.534 ' HG ' ' CE3' ' A' ' 325' ' ' TRP . 1.8 mm? -124.74 153.63 70.32 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 2.6200000000000001 109.317 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 133.57 16.76 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.553 1.817 . . . . 2.1000000000000001 111.038 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 2.0 m -84.55 130.78 34.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 2.6099999999999999 109.962 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 85.33 51.0 3.85 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.108 . . . . 1.3400000000000001 110.936 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mp -53.78 140.03 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 2.8799999999999999 109.356 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 333' ' ' GLU . . . . . 0.461 ' O ' ' CB ' ' A' ' 290' ' ' ALA . 10.4 mm-40 -104.13 -53.39 2.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.55 1.156 . . . . 2.8500000000000001 110.345 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -127.78 110.77 12.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 2.71 109.339 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . 0.467 ' CB ' ' HB ' ' A' ' 292' ' ' THR . . . -109.59 115.13 29.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 1.8200000000000001 109.296 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 336' ' ' TYR . . . . . 0.508 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 13.2 p90 -148.75 125.14 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 4.46 110.96 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -94.75 160.38 14.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 3.7599999999999998 110.285 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 338' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 340' ' ' ALA . 4.0 mp -99.97 85.08 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 5.8200000000000003 109.304 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.65 76.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 3.52 110.311 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 340' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 338' ' ' ILE . . . -158.9 -53.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 2.6000000000000001 109.284 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -108.73 14.16 24.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 4.2699999999999996 110.273 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 3.3 t30 58.91 63.22 1.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 2.4199999999999999 109.292 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -126.77 179.95 5.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 4.0700000000000003 110.286 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 344' ' ' VAL . . . . . . . . . . . . . 3.8 t -141.27 153.46 20.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 2.5499999999999998 109.259 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 345' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.75 137.16 22.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 4.4500000000000002 110.99 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -131.44 159.91 36.69 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.442 1.089 . . . . 2.9100000000000001 109.324 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -136.44 146.16 46.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 4.0099999999999998 111.043 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 348' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.3 OUTLIER -167.95 130.2 1.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 3.6600000000000001 109.246 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.8 t70 54.32 -150.31 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 3.1800000000000002 109.287 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 350' ' ' ASP . . . . . 0.499 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 7.1 t0 -88.25 41.62 1.02 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 3.6000000000000001 109.25 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 19.3 mttp -155.91 155.43 32.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 3.3100000000000001 109.336 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 352' ' ' TYR . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 366' ' ' LYS . 26.3 p90 -138.93 136.08 35.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 4.1799999999999997 111.016 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -102.4 170.58 7.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 5.2400000000000002 107.988 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 354' ' ' LEU . . . . . 0.444 ' CD1' ' N ' ' A' ' 354' ' ' LEU . 0.0 OUTLIER -148.23 137.73 22.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 5.0199999999999996 109.285 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 1.7 mp -112.59 125.68 69.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 2.3399999999999999 109.29 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 356' ' ' SER . . . . . 0.403 ' O ' ' HB2' ' A' ' 357' ' ' ASN . 0.5 OUTLIER -94.43 92.94 7.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 2.73 110.003 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 357' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 356' ' ' SER . 0.7 OUTLIER 70.29 -58.14 0.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 4.6799999999999997 109.317 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 4.0 tp -147.87 -52.53 0.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 4.7199999999999998 109.264 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -89.35 121.35 69.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 5.9100000000000001 110.297 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 360' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -162.03 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.473 1.775 . . . . 2.21 110.969 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -86.89 157.45 54.55 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 2.8300000000000001 110.254 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 362' ' ' PRO . . . . . 0.463 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.5 Cg_endo -74.99 66.5 6.01 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.436 1.756 . . . . 2.77 110.965 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 363' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 0.7 OUTLIER 79.9 104.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 5.4100000000000001 109.28 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 364' ' ' TYR . . . . . 0.548 ' CD2' ' HD2' ' A' ' 366' ' ' LYS . 0.4 OUTLIER -127.0 65.58 64.44 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 3.9199999999999999 111.001 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 365' ' ' PRO . . . . . 0.441 ' HD3' ' C ' ' A' ' 363' ' ' ASN . 18.3 Cg_endo -75.0 55.62 4.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.504 1.792 . . . . 1.29 110.999 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 366' ' ' LYS . . . . . 0.548 ' HD2' ' CD2' ' A' ' 364' ' ' TYR . 0.0 OUTLIER -76.95 171.98 13.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 3.0 109.269 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 42.5 m -136.44 131.13 33.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 2.0800000000000001 110.034 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 29.6 pt -52.18 -37.54 22.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 2.5699999999999998 109.358 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -55.96 -18.07 8.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 3.6000000000000001 109.636 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 21.9 m -67.5 -14.59 63.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 3.5099999999999998 110.026 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 371' ' ' PHE . . . . . 0.557 ' CG ' ' O ' ' A' ' 371' ' ' PHE . 6.1 p90 -167.4 56.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 7.8399999999999999 110.966 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 372' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -163.5 -49.94 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.469 1.105 . . . . 2.8799999999999999 110.983 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 373' ' ' PHE . . . . . 0.436 ' N ' ' HD3' ' A' ' 374' ' ' PRO . 32.7 t80 35.85 62.3 2.67 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.568 0.805 . . . . 7.7599999999999998 111.012 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 374' ' ' PRO . . . . . 0.436 ' HD3' ' N ' ' A' ' 373' ' ' PHE . 18.2 Cg_endo -74.97 -164.89 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.576 1.83 . . . . 2.7799999999999998 111.006 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -74.6 -50.8 16.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 7.0199999999999996 109.4 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -172.24 78.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 5.6799999999999997 110.959 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 377' ' ' VAL . . . . . 0.417 HG21 ' CG ' ' A' ' 374' ' ' PRO . 83.2 t -104.57 158.71 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 3.77 109.32 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -172.79 -41.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.077 . . . . 3.79 109.26 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -127.52 122.89 34.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 2.52 109.335 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 5.3 mm -92.01 172.23 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 3.75 109.288 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -113.81 -47.31 2.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 2.3300000000000001 109.288 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 382' ' ' ALA . . . . . 0.465 ' CB ' HG12 ' A' ' 432' ' ' VAL . . . -159.85 170.47 21.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 2.0800000000000001 109.296 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -149.57 117.72 6.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 2.2999999999999998 109.273 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 4.3 t -128.7 139.86 50.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 3.1600000000000001 109.297 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 385' ' ' PHE . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 434' ' ' TYR . 13.9 t80 -103.22 139.58 38.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 2.6800000000000002 110.98 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -113.34 117.25 45.58 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.077 . . . . 2.71 109.296 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -15.02 20.95 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.499 1.789 . . . . 1.75 110.999 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.7 -48.14 17.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 3.1400000000000001 110.283 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -91.77 -5.87 52.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 3.9500000000000002 110.999 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 57.0 29.74 16.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 3.46 110.979 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 2.0 mtm-85 -129.92 178.75 6.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 4.9500000000000002 110.309 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 37.5 m -126.69 128.64 47.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 1.8 110.379 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . 0.563 ' CE2' ' OH ' ' A' ' 400' ' ' TYR . 8.7 m-85 -85.28 125.32 32.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 2.48 110.985 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -107.47 107.48 18.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 3.75 111.047 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -85.39 108.36 17.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 2.23 111.005 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 21.7 m -129.38 120.2 50.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 4.4699999999999998 109.329 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 52.9 -149.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 3.27 109.305 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . 0.45 ' O ' ' CD1' ' A' ' 417' ' ' LEU . 2.3 m120 -89.87 49.65 1.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.179 . . . . 5.6200000000000001 109.256 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 399' ' ' GLN . . . . . 0.422 ' N ' HD12 ' A' ' 418' ' ' ILE . 16.0 mm100 -146.98 165.82 28.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 4.4500000000000002 110.273 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 400' ' ' TYR . . . . . 0.563 ' OH ' ' CE2' ' A' ' 393' ' ' TYR . 1.6 t80 -121.46 125.56 47.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 4.1799999999999997 110.997 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -119.57 160.76 21.83 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.981 -1.118 . . . . 6.9699999999999998 107.981 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -153.77 117.78 4.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 4.3200000000000003 110.282 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -109.54 126.58 53.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 5.7400000000000002 111.103 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.28 121.98 16.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 1.8899999999999999 109.284 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -91.84 -42.49 10.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 3.2999999999999998 110.343 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.29 -53.6 34.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 6.2199999999999998 110.281 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.38 -39.75 62.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 3.0 110.258 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 74.14 54.28 0.1 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 2.9399999999999999 110.294 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -150.36 96.92 2.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.539 1.15 . . . . 3.7400000000000002 110.995 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.69 125.87 18.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 4.5099999999999998 110.991 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.54 143.99 45.58 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 2.5600000000000001 109.253 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 412' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 413' ' ' GLY . 18.5 Cg_endo -74.98 105.16 2.03 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.774 . . . . 2.6099999999999999 111.04 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 413' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 412' ' ' PRO . . . 51.03 103.25 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 1.8700000000000001 110.995 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 414' ' ' TYR . . . . . 0.531 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 1.9 t80 -137.51 62.9 38.75 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.764 . . . . 2.5800000000000001 111.03 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 415' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.2 Cg_endo -75.01 72.22 4.74 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.45 1.763 . . . . 1.8799999999999999 111.011 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . 0.531 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 6.5 mmtt -85.13 -175.04 5.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 3.4199999999999999 109.253 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 417' ' ' LEU . . . . . 0.45 ' CD1' ' O ' ' A' ' 398' ' ' ASN . 22.4 tp -132.67 137.58 47.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 4.1100000000000003 109.289 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 418' ' ' ILE . . . . . 0.422 HD12 ' N ' ' A' ' 399' ' ' GLN . 0.6 OUTLIER -70.27 -38.53 74.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 2.2000000000000002 109.357 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.55 -40.6 95.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 3.0499999999999998 110.363 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 421' ' ' ASN . 60.4 mttt -63.44 -75.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 2.4399999999999999 109.309 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . 0.652 ' ND2' ' CZ ' ' A' ' 422' ' ' PHE . 32.4 t-20 -39.86 -56.98 1.67 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 3.1000000000000001 109.337 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 422' ' ' PHE . . . . . 0.652 ' CZ ' ' ND2' ' A' ' 421' ' ' ASN . 11.7 m-85 -106.18 89.59 3.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 5.3300000000000001 111.04 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -73.08 140.0 46.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 3.2200000000000002 110.373 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 92.91 -20.06 47.88 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.543 1.152 . . . . 1.96 110.999 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 425' ' ' ILE . . . . . 0.506 HD13 ' CD1' ' A' ' 451' ' ' TYR . 5.5 mm -68.65 -81.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 4.5 109.315 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 161.25 165.11 17.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 1.4199999999999999 111.016 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.11 18.96 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.567 1.825 . . . . 2.1000000000000001 111.061 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.42 145.42 26.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 5.1900000000000004 109.294 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 429' ' ' ILE . . . . . 0.472 HD11 ' CG2' ' A' ' 425' ' ' ILE . 0.2 OUTLIER -125.21 121.88 61.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 4.3499999999999996 109.309 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -57.93 -35.84 71.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 2.3500000000000001 109.359 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 431' ' ' ALA . . . . . 0.608 ' HB1' ' CE2' ' A' ' 442' ' ' PHE . . . -170.27 157.12 6.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.584 1.178 . . . . 2.1099999999999999 109.283 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.521 ' HA ' ' CG ' ' A' ' 442' ' ' PHE . 6.5 p -161.21 152.51 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 3.27 109.291 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 433' ' ' PHE . . . . . 0.558 ' O ' ' CD1' ' A' ' 433' ' ' PHE . 0.0 OUTLIER -152.47 152.9 32.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 5.4400000000000004 110.952 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 434' ' ' TYR . . . . . 0.559 ' CG ' ' O ' ' A' ' 434' ' ' TYR . 5.8 p90 -126.45 124.01 39.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 7.29 110.936 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 435' ' ' SER . . . . . 0.441 ' HB3' ' CE2' ' A' ' 433' ' ' PHE . 24.1 p -120.26 12.96 11.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 3.9500000000000002 109.985 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 436' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.34 -170.84 2.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 7.5999999999999996 109.329 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -63.72 -73.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 9.6899999999999995 109.299 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 438' ' ' LYS . . . . . 0.499 ' O ' ' CG ' ' A' ' 438' ' ' LYS . 2.7 tttt -132.89 61.1 1.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 8.1400000000000006 109.343 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -130.16 136.09 48.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 4.6299999999999999 111.006 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 440' ' ' TYR . . . . . 0.479 ' C ' ' CD1' ' A' ' 440' ' ' TYR . 0.1 OUTLIER -127.17 131.01 50.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 12.31 110.999 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 441' ' ' TYR . . . . . 0.591 ' N ' ' CD1' ' A' ' 441' ' ' TYR . 0.0 OUTLIER -157.23 101.09 1.88 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.584 1.177 . . . . 6.1399999999999997 111.029 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . 0.608 ' CE2' ' HB1' ' A' ' 431' ' ' ALA . 4.3 t80 -155.6 175.82 13.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 12.4 110.937 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 443' ' ' PHE . . . . . 0.631 ' CE1' ' CG ' ' A' ' 448' ' ' GLN . 46.9 m-85 -78.28 151.52 32.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 6.8499999999999996 110.955 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 444' ' ' GLN . . . . . 0.415 ' O ' ' CD ' ' A' ' 444' ' ' GLN . 8.2 tm0? -138.36 72.24 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 4.3099999999999996 110.254 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 445' ' ' GLY . . . . . 0.401 ' O ' ' CB ' ' A' ' 446' ' ' SER . . . 97.81 -38.71 2.99 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.436 1.085 . . . . 2.1699999999999999 111.004 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 446' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 445' ' ' GLY . 0.4 OUTLIER 165.75 41.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 3.4500000000000002 109.969 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.71 120.09 5.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 2.25 109.282 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 448' ' ' GLN . . . . . 0.631 ' CG ' ' CE1' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -100.77 112.08 24.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 4.7400000000000002 110.323 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 449' ' ' PHE . . . . . 0.515 ' N ' ' CD1' ' A' ' 449' ' ' PHE . 1.7 p90 -139.87 163.43 32.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 5.6200000000000001 110.974 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -111.29 147.41 35.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 4.0800000000000001 110.347 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 451' ' ' TYR . . . . . 0.506 ' CD1' HD13 ' A' ' 425' ' ' ILE . 85.4 t80 -133.85 100.09 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.08 . . . . 3.9500000000000002 110.994 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -89.18 111.04 21.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 3.3799999999999999 109.283 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -57.87 -15.81 9.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 5.3600000000000003 111.024 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 12.2 tp -45.3 -26.82 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 3.2200000000000002 109.302 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 456' ' ' GLN . 2.3 pt? -174.35 33.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.383 1.052 . . . . 2.7999999999999998 109.292 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 456' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 455' ' ' LEU . 15.5 pt20 35.93 63.98 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 4.9199999999999999 110.335 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -122.29 136.65 54.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 4.0599999999999996 110.3 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 14.0 mt -108.46 93.78 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 2.5800000000000001 109.343 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 2.7 t -102.87 38.91 1.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 4.0800000000000001 110.437 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -159.95 124.83 3.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 3.6299999999999999 109.313 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 1.1 p -138.83 73.7 1.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 3.27 110.462 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 462' ' ' LEU . . . . . 0.467 ' CD1' ' CB ' ' A' ' 466' ' ' SER . 27.0 tp -99.23 161.38 13.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 4.5099999999999998 109.316 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 463' ' ' LYS . . . . . 0.461 ' N ' ' HG ' ' A' ' 462' ' ' LEU . 4.2 mmpp? -78.0 176.87 8.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 3.8799999999999999 109.26 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 464' ' ' SER . . . . . 0.597 ' HA ' ' CD1' ' A' ' 443' ' ' PHE . 7.5 t -73.2 -44.82 59.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 2.8500000000000001 110.032 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -121.01 79.13 1.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 3.3999999999999999 109.288 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 466' ' ' SER . . . . . 0.467 ' CB ' ' CD1' ' A' ' 462' ' ' LEU . 0.4 OUTLIER -114.67 5.79 15.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 4.4699999999999998 109.956 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -132.46 -49.97 0.92 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.055 -1.091 . . . . 7.0099999999999998 108.055 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 468' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -47.4 -63.96 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 8.8100000000000005 111.017 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -112.44 -64.84 0.48 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.494 1.121 . . . . 5.6100000000000003 111.045 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 60.5 m . . . . . 0 C--N 1.326 -0.449 0 N-CA-C 108.257 -1.016 . . . . 4.1699999999999999 108.257 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 281' ' ' LEU . . . . . 0.499 ' HB3' ' CE2' ' A' ' 468' ' ' PHE . 24.9 mt . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.261 -0.644 . . . . 3.0699999999999998 109.261 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 282' ' ' CYS . . . . . 1.081 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 42.1 t -178.44 -51.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 3.2400000000000002 108.286 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.21 149.89 40.76 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 3.73 109.258 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 97.72 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.469 1.773 . . . . 2.3500000000000001 111.008 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -156.8 30.64 0.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 3.3999999999999999 109.257 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 286' ' ' LEU . . . . . 0.613 ' CD1' ' CZ2' ' A' ' 307' ' ' TRP . 27.5 tp -110.92 157.85 19.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 3.5699999999999998 109.256 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 79.1 p -144.87 162.83 35.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 2.1200000000000001 110.04 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -129.64 171.75 12.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 4.04 111.052 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -122.2 -43.17 2.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 3.6099999999999999 109.305 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -155.15 131.16 10.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 2.2400000000000002 109.319 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 291' ' ' VAL . . . . . 0.557 HG22 ' CE2' ' A' ' 300' ' ' PHE . 6.8 p -135.95 145.43 31.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 3.96 109.288 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 292' ' ' THR . . . . . 0.407 ' N ' HG23 ' A' ' 291' ' ' VAL . 9.3 t -153.52 154.15 33.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 2.3900000000000001 110.371 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 11.1 t -106.5 146.41 30.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 3.4700000000000002 110.358 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 31.5 m -132.42 76.48 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 3.96 109.316 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 95.52 -90.75 1.27 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.541 1.15 . . . . 1.6200000000000001 111.031 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 296' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 296' ' ' ASN . 2.0 p-10 -134.23 16.42 3.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.78 . . . . 4.5800000000000001 109.236 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.08 152.52 42.61 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.499 1.125 . . . . 3.0899999999999999 109.323 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 298' ' ' ILE . . . . . 0.577 HG21 ' CE1' ' A' ' 300' ' ' PHE . 9.8 mt -115.45 140.48 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 3.7599999999999998 109.292 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -129.54 93.21 3.49 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.535 1.147 . . . . 4.2400000000000002 110.976 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 300' ' ' PHE . . . . . 0.577 ' CE1' HG21 ' A' ' 298' ' ' ILE . 78.1 m-85 -82.58 120.41 25.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 4.6799999999999997 111.004 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -104.81 155.97 18.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 4.1699999999999999 110.999 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -160.24 -50.3 0.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 5.5099999999999998 109.282 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 303' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 305' ' ' PHE . 1.5 t0 172.42 100.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 4.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 304' ' ' ARG . . . . . 0.465 ' HB2' ' O ' ' A' ' 303' ' ' ASP . 0.0 OUTLIER 67.37 -58.61 0.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 6.3600000000000003 110.306 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 305' ' ' PHE . . . . . 0.48 ' N ' ' O ' ' A' ' 303' ' ' ASP . 19.3 m-85 -88.29 126.08 35.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 4.0300000000000002 111.051 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 306' ' ' PHE . . . . . 0.43 ' CB ' ' O ' ' A' ' 300' ' ' PHE . 6.2 p90 -124.9 136.18 53.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 2.6499999999999999 111.005 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 307' ' ' TRP . . . . . 0.613 ' CZ2' ' CD1' ' A' ' 286' ' ' LEU . 31.7 m-90 -79.89 136.84 36.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 6.2300000000000004 107.991 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 4.4 tp -149.47 101.59 3.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 3.54 109.321 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -122.62 82.9 2.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 3.6099999999999999 109.286 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 310' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 311' ' ' SER . 0.6 OUTLIER -151.59 -161.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 2.6600000000000001 109.272 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 311' ' ' SER . . . . . 0.453 ' N ' ' CG1' ' A' ' 310' ' ' VAL . 0.7 OUTLIER 38.3 -148.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 6.0300000000000002 109.994 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -82.6 67.3 8.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 7.5199999999999996 110.291 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -137.77 116.3 9.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 5.5300000000000002 110.294 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -25.47 11.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.504 1.791 . . . . 2.7400000000000002 110.995 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.22 170.86 11.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 7.7599999999999998 109.315 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 63.8 p -75.29 146.43 41.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 2.3700000000000001 110.422 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.55 151.0 29.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 2.9199999999999999 110.003 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 40.7 t -144.13 79.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.556 1.16 . . . . 2.7999999999999998 109.296 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -124.2 169.9 11.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 2.1000000000000001 109.307 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.89 154.05 18.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 2.4500000000000002 109.317 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 321' ' ' ILE . . . . . . . . . . . . . 1.4 mp -66.91 -64.61 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 2.3500000000000001 109.314 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 19.3 m -46.2 -34.49 4.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 2.4199999999999999 110.006 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.02 -50.37 5.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 1.9199999999999999 110.023 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 325' ' ' TRP . 3.9 mp -108.98 -65.91 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 3.5699999999999998 109.382 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 325' ' ' TRP . . . . . 0.456 ' HB3' ' CB ' ' A' ' 328' ' ' LEU . 0.0 OUTLIER -42.2 148.86 0.47 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 3.0699999999999998 107.985 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -82.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.428 1.752 . . . . 1.2 110.982 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 327' ' ' THR . . . . . . . . . . . . . 9.2 t -110.48 5.62 21.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 2.0600000000000001 110.404 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 328' ' ' LEU . . . . . 0.489 ' CD1' ' HD2' ' A' ' 329' ' ' PRO . 0.5 OUTLIER -44.01 130.85 4.3 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 3.4100000000000001 109.304 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 329' ' ' PRO . . . . . 0.489 ' HD2' ' CD1' ' A' ' 328' ' ' LEU . 18.0 Cg_endo -75.13 148.23 34.52 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.407 1.74 . . . . 2.6200000000000001 110.932 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 4.5 m -104.73 155.02 19.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 3.2599999999999998 110.014 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 86.07 32.51 17.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 1.3600000000000001 110.985 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 51.7 mm -47.41 130.01 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 0.745 . . . . 3.4199999999999999 109.332 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -85.99 -49.45 7.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.415 1.072 . . . . 2.5 110.334 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -138.61 110.37 7.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.414 1.071 . . . . 1.78 109.357 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -102.17 126.27 49.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 1.78 109.271 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 336' ' ' TYR . . . . . 0.552 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 15.1 p90 -152.94 122.42 6.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 4.4800000000000004 110.936 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 337' ' ' GLU . . . . . 0.42 ' CD ' ' N ' ' A' ' 338' ' ' ILE . 0.2 OUTLIER -95.62 -179.74 4.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 4.2400000000000002 110.289 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 338' ' ' ILE . . . . . 0.42 ' N ' ' CD ' ' A' ' 337' ' ' GLU . 19.0 tt -137.53 101.23 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 4.3600000000000003 109.243 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -68.17 78.83 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.406 1.066 . . . . 3.1200000000000001 110.34 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -159.99 -53.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 2.9700000000000002 109.32 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -112.41 4.29 17.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 3.98 110.325 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.17 70.84 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 4.0199999999999996 109.3 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -134.67 179.28 6.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 3.21 110.302 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 344' ' ' VAL . . . . . . . . . . . . . 85.6 t -147.89 125.69 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.088 . . . . 2.2599999999999998 109.36 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 345' ' ' PHE . . . . . 0.464 ' CB ' ' CZ ' ' A' ' 336' ' ' TYR . 61.1 m-85 -113.48 86.7 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 4.4400000000000004 110.999 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 13.9 mt -81.59 148.99 28.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 3.6000000000000001 109.308 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -118.85 144.54 46.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 3.3700000000000001 110.971 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 348' ' ' LYS . . . . . 0.475 ' HD3' ' CB ' ' A' ' 329' ' ' PRO . 1.5 ptmt -161.45 124.04 3.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 5.9500000000000002 109.308 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 53.76 -150.41 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 3.75 109.297 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 350' ' ' ASP . . . . . 0.477 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 5.5 p-10 -87.95 41.47 1.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 3.3599999999999999 109.225 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.477 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 24.5 mttp -155.77 154.93 32.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 3.4199999999999999 109.333 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 352' ' ' TYR . . . . . 0.529 ' CZ ' ' HB3' ' A' ' 366' ' ' LYS . 19.7 p90 -137.42 135.63 37.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 4.0999999999999996 111.011 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 353' ' ' TRP . . . . . 0.415 ' CD2' ' HG3' ' A' ' 329' ' ' PRO . 1.2 m-90 -93.64 138.65 31.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 5.0499999999999998 108.02 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 354' ' ' LEU . . . . . 0.432 ' CD2' ' HG3' ' A' ' 361' ' ' GLU . 0.0 OUTLIER -109.15 105.26 14.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 4.2999999999999998 109.299 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . 0.465 ' CD1' HD23 ' A' ' 328' ' ' LEU . 83.0 mt -83.22 145.93 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 3.2599999999999998 109.296 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 29.3 t -137.68 103.74 5.11 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.513 1.133 . . . . 2.2599999999999998 109.972 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 357' ' ' ASN . . . . . 0.511 ' O ' ' CD2' ' A' ' 358' ' ' LEU . 22.5 m-80 61.39 55.42 2.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 3.77 109.29 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 358' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 357' ' ' ASN . 0.3 OUTLIER 57.94 35.04 24.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 3.48 109.287 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.31 106.1 7.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.599 1.187 . . . . 4.8200000000000003 110.302 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 360' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 361' ' ' GLU . 18.3 Cg_endo -75.0 109.36 2.91 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.545 1.813 . . . . 1.97 110.975 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 361' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 360' ' ' PRO . 35.8 mm-40 -34.24 123.64 0.51 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 2.9100000000000001 110.281 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 124.19 8.49 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.466 1.772 . . . . 2.7799999999999998 111.03 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 363' ' ' ASN . . . . . 0.448 ' C ' ' HD3' ' A' ' 365' ' ' PRO . 18.8 m120 65.44 62.54 0.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 4.5300000000000002 109.255 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 364' ' ' TYR . . . . . 0.581 ' CE2' ' HD3' ' A' ' 366' ' ' LYS . 0.3 OUTLIER -132.64 56.83 24.61 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 3.3100000000000001 110.993 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 365' ' ' PRO . . . . . 0.535 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.5 Cg_endo -74.95 51.39 2.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 1.6299999999999999 111.004 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 366' ' ' LYS . . . . . 0.581 ' HD3' ' CE2' ' A' ' 364' ' ' TYR . 0.1 OUTLIER -57.45 142.87 42.53 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.524 1.14 . . . . 2.6200000000000001 109.312 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 90.2 p -118.12 129.49 55.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 2.48 109.968 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 5.7 pt -45.64 -28.05 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 2.4399999999999999 109.263 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 369' ' ' HIS . . . . . 0.629 ' NE2' ' CD1' ' A' ' 373' ' ' PHE . 15.2 m-70 -55.6 -18.86 8.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 7.0499999999999998 109.65 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 1.6 m -60.97 -25.51 66.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 2.4900000000000002 110.015 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 174.29 61.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 7.7300000000000004 111.09 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 372' ' ' GLY . . . . . 0.463 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -168.31 -63.89 0.03 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.522 1.139 . . . . 2.9500000000000002 110.987 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 373' ' ' PHE . . . . . 0.629 ' CD1' ' NE2' ' A' ' 369' ' ' HIS . 46.0 t80 -32.59 95.43 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.59 0.818 . . . . 6.0899999999999999 110.979 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 374' ' ' PRO . . . . . 0.486 ' HD2' ' CG1' ' A' ' 377' ' ' VAL . 18.4 Cg_endo -75.02 -54.97 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 2.4700000000000002 111.025 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 375' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 374' ' ' PRO . 7.2 m-20 160.74 45.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 6.3799999999999999 109.276 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 376' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 377' ' ' VAL . 0.6 OUTLIER -178.99 -48.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 6.8899999999999997 111.003 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 377' ' ' VAL . . . . . 0.486 ' CG1' ' HD2' ' A' ' 374' ' ' PRO . 3.3 p -40.07 153.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 2.9500000000000002 109.267 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.54 -38.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 4.0999999999999996 109.325 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.32 126.98 25.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 2.8900000000000001 109.363 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 13.9 mt -98.78 150.64 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 2.1200000000000001 109.317 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.55 -44.95 7.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 2.3300000000000001 109.332 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 382' ' ' ALA . . . . . 0.423 ' CB ' ' HA ' ' A' ' 431' ' ' ALA . . . -161.15 161.98 31.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 1.72 109.323 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -151.46 127.1 10.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 1.5700000000000001 109.232 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . 0.422 HG13 ' CG1' ' A' ' 432' ' ' VAL . 22.0 m -136.51 139.18 45.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 3.5099999999999998 109.315 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -90.85 132.39 35.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 6.0999999999999996 110.946 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -109.19 108.65 60.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 2.8100000000000001 109.283 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.7 18.47 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.5 1.79 . . . . 1.97 111.02 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -76.44 -27.67 56.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 3.0699999999999998 110.351 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -116.31 0.69 12.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 3.75 110.972 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 51.83 21.98 1.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 3.79 110.958 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.03 155.83 39.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 4.0300000000000002 110.254 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 91.6 m -111.89 125.55 54.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 1.77 110.408 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . 0.428 ' N ' ' CD1' ' A' ' 393' ' ' TYR . 9.1 m-30 -78.83 126.98 31.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 2.3900000000000001 111.018 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -111.53 107.17 16.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 3.6299999999999999 110.973 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -89.03 115.49 26.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.39 1.056 . . . . 1.3600000000000001 110.964 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 42.1 t -140.19 126.35 21.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 2.7599999999999998 109.338 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 1.2 t70 52.3 -152.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 3.4700000000000002 109.323 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -88.08 49.66 1.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 3.5299999999999998 109.291 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -147.39 162.94 37.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 3.2400000000000002 110.365 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -129.43 105.59 8.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 3.5699999999999998 110.991 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 7.4 m-90 -100.49 172.78 6.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 6.8300000000000001 107.965 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 402' ' ' ARG . . . . . 0.412 ' NE ' ' CE1' ' A' ' 393' ' ' TYR . 7.7 ttm180 -154.92 126.38 7.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 4.6399999999999997 110.278 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 403' ' ' TYR . . . . . 0.572 ' CE1' ' O ' ' A' ' 404' ' ' ASP . 62.2 t80 -108.98 151.43 26.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 5.3899999999999997 110.983 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 404' ' ' ASP . . . . . 0.572 ' O ' ' CE1' ' A' ' 403' ' ' TYR . 0.3 OUTLIER -92.58 127.92 38.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 2.04 109.245 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -88.66 -52.86 4.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 3.27 110.295 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -60.83 -50.01 75.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.593 1.183 . . . . 9.4900000000000002 110.224 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.29 -40.32 67.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 3.2799999999999998 110.352 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 74.02 30.62 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 2.8700000000000001 110.328 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 9.5 tpt -134.77 116.43 14.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 3.46 110.911 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 44.3 mtm -39.31 142.03 0.3 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 3.4100000000000001 110.965 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.72 141.26 97.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 3.1899999999999999 109.324 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 412' ' ' PRO . . . . . 0.532 ' O ' ' C ' ' A' ' 413' ' ' GLY . 18.2 Cg_endo -75.03 126.27 9.84 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.794 . . . . 4.25 110.996 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 413' ' ' GLY . . . . . 0.532 ' C ' ' O ' ' A' ' 412' ' ' PRO . . . 25.87 91.37 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.505 1.128 . . . . 3.04 110.949 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 414' ' ' TYR . . . . . 0.506 ' CE1' ' HG3' ' A' ' 416' ' ' LYS . 1.0 OUTLIER -134.22 60.12 42.01 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 2.6499999999999999 111.016 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 415' ' ' PRO . . . . . 0.481 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -75.01 73.24 4.39 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.435 1.756 . . . . 2.21 111.029 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . 0.506 ' HG3' ' CE1' ' A' ' 414' ' ' TYR . 6.0 mmtt -98.11 173.63 6.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 3.1800000000000002 109.327 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.92 163.07 27.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 3.0600000000000001 109.301 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 418' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 421' ' ' ASN . 2.8 mp -69.04 -77.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 2.0299999999999998 109.315 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 419' ' ' THR . . . . . 0.429 ' HB ' ' N ' ' A' ' 427' ' ' PRO . 7.5 t -40.03 -37.9 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 2.23 110.388 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -62.78 -50.12 72.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 2.3599999999999999 109.292 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . 0.455 ' OD1' ' CE2' ' A' ' 422' ' ' PHE . 10.3 t-20 -58.39 -46.52 86.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.095 . . . . 2.4900000000000002 109.308 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 422' ' ' PHE . . . . . 0.49 ' O ' ' CD1' ' A' ' 425' ' ' ILE . 39.0 m-85 -148.06 126.02 12.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.384 1.053 . . . . 4.6600000000000001 110.982 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -92.23 119.58 31.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 2.3500000000000001 110.275 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 150.2 -28.31 1.11 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.141 . . . . 1.52 111.001 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 425' ' ' ILE . . . . . 0.536 HG21 ' CD2' ' A' ' 442' ' ' PHE . 0.2 OUTLIER -96.15 -19.63 6.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 3.23 109.254 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 91.4 170.59 42.4 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.5 1.125 . . . . 1.0900000000000001 111.049 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . 0.429 ' N ' ' HB ' ' A' ' 419' ' ' THR . 18.4 Cg_endo -74.94 -0.59 10.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 1.23 111.084 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.82 133.2 45.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 3.6000000000000001 109.253 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 429' ' ' ILE . . . . . 0.531 ' CD1' ' CD1' ' A' ' 442' ' ' PHE . 6.7 tp -128.24 144.26 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 2.3300000000000001 109.263 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 430' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 430' ' ' ASP . 0.8 OUTLIER -93.55 -60.33 1.8 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.489 1.118 . . . . 3.1600000000000001 109.279 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 431' ' ' ALA . . . . . 0.423 ' HA ' ' CB ' ' A' ' 382' ' ' ALA . . . -154.73 166.05 34.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.461 1.101 . . . . 1.8300000000000001 109.296 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.551 ' HB ' ' CD1' ' A' ' 442' ' ' PHE . 6.6 p -158.12 143.64 8.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 3.2999999999999998 109.296 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 433' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 433' ' ' PHE . 5.6 p90 -142.46 123.0 14.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.095 . . . . 3.6800000000000002 110.965 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -85.88 88.87 7.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 4.9500000000000002 111.04 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 1.3 p -113.98 -14.83 12.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 2.6899999999999999 109.918 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 436' ' ' LYS . . . . . 0.481 ' HD3' ' CE1' ' A' ' 441' ' ' TYR . 0.2 OUTLIER -73.27 -167.12 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 4.7199999999999998 109.314 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -97.97 -50.68 4.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 5.4800000000000004 109.296 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 438' ' ' LYS . . . . . 0.459 ' HA ' ' CE ' ' A' ' 438' ' ' LYS . 0.0 OUTLIER -145.78 50.2 1.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 4.0300000000000002 109.356 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -143.33 162.49 35.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 4.0300000000000002 111.016 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -125.27 109.96 13.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 4.75 110.977 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 441' ' ' TYR . . . . . 0.481 ' CE1' ' HD3' ' A' ' 436' ' ' LYS . 3.2 m-85 -89.52 125.1 35.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.423 1.077 . . . . 3.77 110.988 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . 0.551 ' CD1' ' HB ' ' A' ' 432' ' ' VAL . 12.0 m-85 -125.23 146.98 49.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 4.4400000000000004 111.054 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 443' ' ' PHE . . . . . 0.562 ' CZ ' ' HG3' ' A' ' 448' ' ' GLN . 0.2 OUTLIER -123.68 118.73 27.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 4.96 111.025 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 444' ' ' GLN . . . . . 0.463 ' OE1' ' CD1' ' A' ' 429' ' ' ILE . 1.1 pm0 -145.96 91.03 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 7.5899999999999999 110.267 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 445' ' ' GLY . . . . . 0.458 ' O ' ' ND2' ' A' ' 447' ' ' ASN . . . 81.29 67.3 1.54 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.47 1.106 . . . . 3.8999999999999999 110.976 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 96.8 p 42.24 30.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.75 . . . . 2.6600000000000001 110.009 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 447' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 445' ' ' GLY . 78.8 m-20 -123.2 119.1 29.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 2.6899999999999999 109.308 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 448' ' ' GLN . . . . . 0.562 ' HG3' ' CZ ' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -106.44 100.28 9.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 4.4800000000000004 110.259 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -107.7 146.86 31.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 3.8300000000000001 110.99 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.44 143.08 48.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 4.0800000000000001 110.303 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 451' ' ' TYR . . . . . 0.471 ' CE2' ' HB3' ' A' ' 422' ' ' PHE . 3.3 t80 -117.45 123.37 46.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 4.2400000000000002 110.99 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -103.7 111.64 24.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.148 . . . . 3.1499999999999999 109.323 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -63.51 -12.26 30.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 4.9100000000000001 111.025 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . 0.415 ' CG ' HD22 ' A' ' 455' ' ' LEU . 11.2 tp -54.96 -32.68 61.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 3.1000000000000001 109.27 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 456' ' ' GLN . 0.7 OUTLIER -173.55 37.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 3.0600000000000001 109.209 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 456' ' ' GLN . . . . . 0.429 ' HA ' ' CE1' ' A' ' 451' ' ' TYR . 5.0 pm0 36.66 64.69 0.54 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 6.1100000000000003 110.283 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -127.02 125.58 41.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 4.0099999999999998 110.269 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 54.0 mt -90.69 106.4 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 2.4100000000000001 109.337 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 58.3 p -113.01 36.87 3.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.406 1.066 . . . . 3.1299999999999999 110.467 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -156.66 116.63 3.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 4.4900000000000002 109.288 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 23.2 p -149.48 87.11 1.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 3.0299999999999998 110.389 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 462' ' ' LEU . . . . . 0.477 ' CD2' ' HB3' ' A' ' 448' ' ' GLN . 1.1 pt? -121.78 177.34 5.31 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.538 1.149 . . . . 2.8399999999999999 109.296 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 463' ' ' LYS . . . . . 0.449 ' O ' ' CB ' ' A' ' 466' ' ' SER . 0.0 OUTLIER -111.6 155.71 22.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 3.4700000000000002 109.299 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.04 -52.68 2.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 2.6600000000000001 110.012 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -76.95 55.94 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.594 1.184 . . . . 3.52 109.257 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 466' ' ' SER . . . . . 0.465 ' HB2' ' CD1' ' A' ' 462' ' ' LEU . 49.6 m -133.5 52.65 2.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 4.1299999999999999 110.049 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 467' ' ' TRP . . . . . 0.449 ' CD1' ' O ' ' A' ' 466' ' ' SER . 0.1 OUTLIER -175.08 -42.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 7.21 108.043 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 468' ' ' PHE . . . . . 0.499 ' CE2' ' HB3' ' A' ' 281' ' ' LEU . 2.2 t80 -67.13 -39.85 86.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.531 1.145 . . . . 8.6699999999999999 111.025 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 93.9 80.33 1.48 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.513 1.133 . . . . 3.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 470' ' ' CYS . . . . . 1.081 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 1.5 t . . . . . 0 C--N 1.325 -0.497 0 N-CA-C 108.326 -0.99 . . . . 6.9699999999999998 108.326 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 281' ' ' LEU . . . . . 0.61 ' CD1' ' CZ3' ' A' ' 307' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.294 -0.632 . . . . 4.5599999999999996 109.294 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 282' ' ' CYS . . . . . . . . . . . . . 10.2 t -115.38 32.7 5.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 3.23 108.221 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 283' ' ' ASP . . . . . 0.411 ' HB3' ' OD1' ' A' ' 285' ' ' ASN . 3.9 m-20 -165.84 145.33 5.25 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 3.3399999999999999 109.271 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 81.62 2.17 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 2.27 111.009 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 285' ' ' ASN . . . . . 0.411 ' OD1' ' HB3' ' A' ' 283' ' ' ASP . 0.2 OUTLIER -173.67 41.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 2.79 109.343 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.92 154.59 32.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.446 1.092 . . . . 3.7999999999999998 109.307 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 59.0 p -145.71 167.57 22.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 2.2599999999999998 110.036 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -130.04 173.05 11.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 4.6799999999999997 111.031 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.34 -49.83 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 2.9199999999999999 109.278 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 290' ' ' ALA . . . . . 0.432 ' CB ' HG21 ' A' ' 332' ' ' ILE . . . -138.1 152.6 48.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 1.78 109.342 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 291' ' ' VAL . . . . . 0.419 ' N ' ' HB2' ' A' ' 431' ' ' ALA . 55.8 t -141.05 159.78 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 3.5800000000000001 109.326 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 292' ' ' THR . . . . . 0.425 ' CG2' ' N ' ' A' ' 293' ' ' THR . 0.8 OUTLIER -152.89 164.45 37.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 2.98 110.397 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 293' ' ' THR . . . . . 0.425 ' N ' ' CG2' ' A' ' 292' ' ' THR . 11.6 t -137.84 144.44 41.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 2.8599999999999999 110.415 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 70.0 t -144.7 67.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 3.21 109.273 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 93.94 -108.96 3.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.132 . . . . 2.8300000000000001 111.004 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -109.83 12.91 23.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 0.756 . . . . 3.0499999999999998 109.279 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . 0.46 ' HA ' ' CG2' ' A' ' 310' ' ' VAL . 7.1 mtmm -107.88 152.35 24.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 3.73 109.348 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 2.5 pt -133.22 132.44 58.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 2.9199999999999999 109.278 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 299' ' ' PHE . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 301' ' ' PHE . 52.9 m-85 -114.18 150.96 33.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 4.04 111.001 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 300' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -142.54 132.79 24.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 3.8300000000000001 110.969 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 301' ' ' PHE . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 299' ' ' PHE . 0.1 OUTLIER -134.48 171.63 14.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 4.1399999999999997 110.949 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 302' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 303' ' ' ASP . 3.9 tptp -145.59 -113.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 5.8700000000000001 109.286 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 303' ' ' ASP . . . . . 0.412 ' N ' ' HG3' ' A' ' 302' ' ' LYS . 71.2 m-20 -77.62 -79.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 2.9300000000000002 109.258 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.64 -24.59 6.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.078 . . . . 4.7300000000000004 110.286 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 305' ' ' PHE . . . . . 0.563 ' CE1' HD11 ' A' ' 320' ' ' LEU . 74.3 m-85 -94.71 147.9 22.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 3.8500000000000001 111.05 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 306' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -128.3 143.84 51.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 2.02 111.027 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 307' ' ' TRP . . . . . 0.61 ' CZ3' ' CD1' ' A' ' 281' ' ' LEU . 52.1 m95 -106.66 149.07 27.61 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.013 -1.106 . . . . 6.4699999999999998 108.013 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 46.2 tp -143.62 130.81 20.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.172 . . . . 3.6600000000000001 109.298 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 309' ' ' LYS . . . . . 0.415 ' O ' ' HB ' ' A' ' 310' ' ' VAL . 22.4 tptp -152.3 102.36 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 2.9300000000000002 109.234 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 310' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 297' ' ' LYS . 3.8 p -176.81 -178.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.484 1.115 . . . . 2.96 109.353 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 311' ' ' SER . . . . . 0.472 ' O ' ' C ' ' A' ' 312' ' ' GLU . 14.3 t 45.81 87.56 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.528 1.142 . . . . 5.29 109.96 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 312' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 311' ' ' SER . 4.6 tt0 32.33 77.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.562 1.163 . . . . 4.8399999999999999 110.318 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -116.75 128.63 25.88 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 4.9900000000000002 110.286 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -34.4 3.84 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.559 1.82 . . . . 2.2400000000000002 110.995 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.1 172.49 18.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 5.2800000000000002 109.301 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 316' ' ' THR . . . . . 0.443 HG22 ' CD2' ' A' ' 468' ' ' PHE . 70.0 p -81.24 172.24 13.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.129 . . . . 2.25 110.42 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.36 137.08 15.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 2.3300000000000001 109.999 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 318' ' ' VAL . . . . . 0.579 ' HB ' ' CE3' ' A' ' 307' ' ' TRP . 7.2 p -121.02 120.03 61.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 4.6399999999999997 109.276 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -133.05 179.2 6.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 3.5299999999999998 109.299 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . 0.563 HD11 ' CE1' ' A' ' 305' ' ' PHE . 0.3 OUTLIER -86.87 149.14 25.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 2.8100000000000001 109.311 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 321' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 324' ' ' LEU . 11.0 mt -64.44 -63.17 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 2.3999999999999999 109.318 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 14.4 m -45.26 -37.71 4.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 2.2799999999999998 109.974 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.03 -37.98 69.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.8899999999999999 109.989 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 321' ' ' ILE . 7.8 tp -93.1 -74.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 4.7699999999999996 109.268 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.63 159.62 83.0 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 1.9399999999999999 107.978 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -79.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.406 1.74 . . . . 1.4099999999999999 111.01 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 327' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.33 94.21 4.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 3.1200000000000001 110.475 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 328' ' ' LEU . . . . . 0.405 ' CD1' ' HD2' ' A' ' 329' ' ' PRO . 1.5 mm? -126.58 154.19 75.39 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 2.1299999999999999 109.311 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 329' ' ' PRO . . . . . 0.405 ' HD2' ' CD1' ' A' ' 328' ' ' LEU . 18.5 Cg_endo -74.9 130.04 13.0 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.521 1.8 . . . . 1.95 110.994 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 1.3 m -85.27 138.85 32.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 2.4199999999999999 110.021 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 93.27 41.93 4.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.145 . . . . 1.55 111.012 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.432 HG21 ' CB ' ' A' ' 290' ' ' ALA . 21.4 mt -49.2 129.69 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 2.8999999999999999 109.321 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.27 -29.55 11.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 3.1000000000000001 110.292 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -158.72 125.72 4.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 1.6699999999999999 109.29 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -121.89 126.92 49.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 1.8500000000000001 109.279 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 336' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -131.05 101.79 5.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 4.8600000000000003 110.984 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.05 135.34 46.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 3.8700000000000001 110.322 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 338' ' ' ILE . . . . . . . . . . . . . 6.8 tp -118.24 132.02 69.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 5.3099999999999996 109.35 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -96.78 17.52 16.44 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.566 1.166 . . . . 3.8599999999999999 110.322 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -77.98 -52.78 8.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.591 1.182 . . . . 2.4500000000000002 109.275 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 341' ' ' ARG . . . . . 0.431 ' CG ' ' HG2' ' A' ' 343' ' ' GLN . 0.6 OUTLIER -105.88 0.38 25.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 4.4400000000000004 110.291 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 35.2 t30 68.25 51.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 2.4199999999999999 109.28 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . 0.431 ' HG2' ' CG ' ' A' ' 341' ' ' ARG . 0.0 OUTLIER -119.67 168.21 11.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.123 . . . . 4.6799999999999997 110.271 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 344' ' ' VAL . . . . . 0.429 ' N ' HE21 ' A' ' 343' ' ' GLN . 15.7 t -138.96 130.68 36.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.516 1.135 . . . . 2.8900000000000001 109.331 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 345' ' ' PHE . . . . . 0.415 ' CZ ' ' HB2' ' A' ' 347' ' ' PHE . 23.5 t80 -123.77 130.21 52.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 7.54 111.014 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -125.39 110.18 13.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 2.29 109.299 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 347' ' ' PHE . . . . . 0.423 ' CE1' HD13 ' A' ' 380' ' ' ILE . 3.3 t80 -90.51 145.11 25.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 7.8200000000000003 111.047 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 348' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.6 OUTLIER -161.05 114.9 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 5.21 109.29 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 61.13 -144.77 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 3.75 109.279 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 350' ' ' ASP . . . . . 0.479 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 19.1 p-10 -89.2 36.45 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 2.98 109.258 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 4.7 mtmt -156.09 154.02 30.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 2.5899999999999999 109.262 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 352' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 366' ' ' LYS . 5.5 p90 -145.55 133.8 21.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 3.77 111.026 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 -91.66 164.15 13.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 4.8499999999999996 108.072 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 354' ' ' LEU . . . . . 0.491 ' C ' ' CD1' ' A' ' 354' ' ' LEU . 1.7 tm? -127.4 111.39 13.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 3.9399999999999999 109.266 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . 0.439 HD11 ' N ' ' A' ' 355' ' ' ILE . 1.9 mp -91.3 110.83 22.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.165 . . . . 2.2400000000000002 109.279 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 356' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' A' ' 357' ' ' ASN . 52.3 p -99.17 104.16 16.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 3.1600000000000001 109.969 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 357' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 356' ' ' SER . 12.1 m-20 78.11 -56.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 3.8199999999999998 109.252 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 358' ' ' LEU . . . . . 0.424 ' CD2' ' HG2' ' A' ' 359' ' ' ARG . 0.1 OUTLIER -162.77 -49.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 6.1100000000000003 109.26 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 359' ' ' ARG . . . . . 0.424 ' HG2' ' CD2' ' A' ' 358' ' ' LEU . 0.0 OUTLIER -88.61 120.08 70.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 5.54 110.261 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 360' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 144.81 30.61 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.522 1.801 . . . . 1.53 111.042 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -49.94 128.96 21.65 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 3.1200000000000001 110.27 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 139.72 24.48 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.556 1.819 . . . . 2.4900000000000002 111.001 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 363' ' ' ASN . . . . . 0.426 ' C ' ' HD3' ' A' ' 365' ' ' PRO . 2.6 m-80 61.06 62.33 1.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 4.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 364' ' ' TYR . . . . . 0.589 ' CE2' ' HD3' ' A' ' 366' ' ' LYS . 0.4 OUTLIER -134.46 55.76 15.76 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 3.6000000000000001 111.003 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 365' ' ' PRO . . . . . 0.55 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -75.03 46.82 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.528 1.804 . . . . 1.28 110.979 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 366' ' ' LYS . . . . . 0.589 ' HD3' ' CE2' ' A' ' 364' ' ' TYR . 0.1 OUTLIER -49.04 151.45 1.29 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 2.9300000000000002 109.332 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.67 125.93 35.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 3.0600000000000001 109.979 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 3.7 pt -60.3 -32.36 50.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.56 1.163 . . . . 2.4900000000000002 109.293 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -21.4 64.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 4.0 109.612 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.21 -8.71 41.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 2.7000000000000002 110.036 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 175.48 58.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 7.6200000000000001 110.997 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 372' ' ' GLY . . . . . 0.485 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -165.49 -66.19 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.429 1.08 . . . . 2.96 111.023 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 373' ' ' PHE . . . . . 0.574 ' CZ ' ' O ' ' A' ' 375' ' ' ASN . 62.0 t80 -30.96 94.49 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 5.46 111.047 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 374' ' ' PRO . . . . . 0.466 ' N ' ' O ' ' A' ' 372' ' ' GLY . 18.4 Cg_endo -74.99 -61.86 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.527 1.804 . . . . 2.7999999999999998 111.038 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 375' ' ' ASN . . . . . 0.574 ' O ' ' CZ ' ' A' ' 373' ' ' PHE . 44.3 t-20 -119.74 -70.81 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 5.6799999999999997 109.297 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -145.84 66.21 1.21 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 6.3600000000000003 110.995 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 377' ' ' VAL . . . . . . . . . . . . . 71.1 t -112.3 155.29 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 3.4300000000000002 109.297 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.9 -36.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 3.5600000000000001 109.316 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -116.48 120.34 38.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 2.8199999999999998 109.35 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 380' ' ' ILE . . . . . 0.423 HD13 ' CE1' ' A' ' 347' ' ' PHE . 30.3 mt -105.43 158.35 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 2.3599999999999999 109.278 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 381' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 430' ' ' ASP . 0.5 OUTLIER -96.21 -45.01 7.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 2.1299999999999999 109.272 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -156.75 166.9 32.06 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.547 1.154 . . . . 1.8500000000000001 109.336 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -157.63 126.35 5.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 1.5900000000000001 109.262 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 27.5 m -138.86 150.7 23.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.533 1.146 . . . . 3.4500000000000002 109.308 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -100.38 155.72 17.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 2.4500000000000002 111.046 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 386' ' ' ASN . . . . . 0.457 ' ND2' ' CE1' ' A' ' 393' ' ' TYR . 5.8 m-20 -135.55 113.42 11.05 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 3.2200000000000002 109.276 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 387' ' ' PRO . . . . . 0.458 ' HD3' ' CE2' ' A' ' 434' ' ' TYR . 18.3 Cg_endo -75.08 -12.54 21.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.452 1.764 . . . . 2.0800000000000001 110.979 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.46 -34.0 31.69 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.492 1.12 . . . . 3.0299999999999998 110.287 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -110.55 0.03 17.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 4.4800000000000004 110.929 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 50.04 30.68 4.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 4.2199999999999998 111.02 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 21.8 mtt180 -135.77 158.94 43.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 4.8200000000000003 110.317 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 28.3 m -106.02 124.19 49.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 1.72 110.419 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . 0.457 ' CE1' ' ND2' ' A' ' 386' ' ' ASN . 5.7 m-85 -82.18 122.19 27.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 2.6299999999999999 110.939 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -112.66 116.48 30.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 3.4199999999999999 111.06 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -97.24 115.16 27.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.432 1.083 . . . . 1.8700000000000001 110.96 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 98.7 t -135.79 123.66 36.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 2.6299999999999999 109.287 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 54.58 -151.95 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.431 1.082 . . . . 3.1800000000000002 109.262 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . 0.408 ' O ' ' OD1' ' A' ' 398' ' ' ASN . 7.2 p30 -88.62 42.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 3.8799999999999999 109.324 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -141.62 163.14 33.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 3.2799999999999998 110.26 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -127.3 113.19 15.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 3.6200000000000001 111.011 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -109.49 155.63 21.1 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.043 -1.095 . . . . 6.8700000000000001 108.043 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 -143.25 130.51 20.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 3.8500000000000001 110.275 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 403' ' ' TYR . . . . . 0.459 ' CD1' ' HB2' ' A' ' 410' ' ' MET . 19.8 m-30 -113.37 157.6 21.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 8.4000000000000004 110.992 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.23 121.08 31.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 2.96 109.271 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.63 -56.25 3.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 3.4199999999999999 110.346 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 4.0 ppt_? -59.97 -35.24 74.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 7.1900000000000004 110.292 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -87.96 -38.44 15.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 4.2000000000000002 110.253 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 77.05 40.12 0.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 2.5600000000000001 110.391 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 11.0 tpp -138.05 92.21 2.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 3.6600000000000001 110.949 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 410' ' ' MET . . . . . 0.459 ' HB2' ' CD1' ' A' ' 403' ' ' TYR . 0.0 OUTLIER -53.98 136.09 41.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 2.71 110.954 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.69 113.36 55.4 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 3.2200000000000002 109.335 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -55.19 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.541 1.811 . . . . 4.7400000000000002 110.942 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . -75.8 65.81 2.5 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.438 1.086 . . . . 2.6499999999999999 111.021 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 414' ' ' TYR . . . . . 0.428 ' N ' ' HD3' ' A' ' 415' ' ' PRO . 37.2 t80 -135.29 62.42 50.57 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 3.4199999999999999 110.968 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 415' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.4 Cg_endo -74.99 106.13 2.22 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 2.7000000000000002 110.993 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -135.86 -179.19 5.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.565 1.166 . . . . 3.1000000000000001 109.297 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 417' ' ' LEU . . . . . 0.414 ' CB ' ' HB2' ' A' ' 420' ' ' LYS . 0.1 OUTLIER -131.97 145.99 51.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.136 . . . . 2.7999999999999998 109.335 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 418' ' ' ILE . . . . . 0.464 ' CD1' ' O ' ' A' ' 427' ' ' PRO . 3.5 mt -70.65 -48.84 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 2.3500000000000001 109.284 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 1.4 t -67.1 -35.96 80.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 2.5600000000000001 110.414 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . 0.414 ' HB2' ' CB ' ' A' ' 417' ' ' LEU . 47.1 mttt -66.18 -62.73 1.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 3.3700000000000001 109.283 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . 0.515 ' ND2' ' CE2' ' A' ' 422' ' ' PHE . 42.8 t30 -51.81 -50.12 61.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 3.1699999999999999 109.354 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 422' ' ' PHE . . . . . 0.515 ' CE2' ' ND2' ' A' ' 421' ' ' ASN . 61.7 m-85 -123.76 98.82 5.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 3.73 111.019 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -86.78 110.65 20.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 3.5 110.291 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 149.75 -29.88 1.14 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 1.49 111.024 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 425' ' ' ILE . . . . . 0.516 HD13 ' CE2' ' A' ' 442' ' ' PHE . 14.2 pt -88.37 -34.27 6.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.531 0.783 . . . . 3.5899999999999999 109.304 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 115.06 -179.72 18.36 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.468 1.105 . . . . 1.01 110.987 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . 0.464 ' O ' ' CD1' ' A' ' 418' ' ' ILE . 18.2 Cg_endo -74.97 -34.55 3.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.529 1.805 . . . . 1.8 111.042 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.31 147.2 40.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 3.96 109.335 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 5.1 tp -139.42 107.82 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 2.96 109.307 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 430' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 381' ' ' ASP . 8.7 m-20 -44.95 -67.4 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 2.23 109.326 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 431' ' ' ALA . . . . . 0.419 ' HB2' ' N ' ' A' ' 291' ' ' VAL . . . -146.79 163.3 36.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 2.02 109.297 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.462 HG21 ' CE2' ' A' ' 442' ' ' PHE . 2.3 p -160.11 149.77 6.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.137 . . . . 2.9100000000000001 109.235 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 433' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' A' ' 441' ' ' TYR . 1.9 p90 -138.11 146.41 42.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 4.8200000000000003 111.005 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 434' ' ' TYR . . . . . 0.458 ' CE2' ' HD3' ' A' ' 387' ' ' PRO . 4.2 t80 -105.15 98.12 7.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 4.21 110.949 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.69 -166.62 2.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 3.98 110.03 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 436' ' ' LYS . . . . . 0.419 ' HG3' ' CE1' ' A' ' 441' ' ' TYR . 30.6 mmtm 75.64 -141.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 7.4699999999999998 109.341 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 437' ' ' ASN . . . . . 0.457 ' O ' ' CD2' ' A' ' 439' ' ' TYR . 3.4 m-80 -112.94 98.83 7.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 6.6399999999999997 109.363 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 438' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 437' ' ' ASN . 1.3 tppp? 38.83 41.09 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 4.21 109.295 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 439' ' ' TYR . . . . . 0.457 ' CD2' ' O ' ' A' ' 437' ' ' ASN . 8.0 m-85 -124.71 142.66 51.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 4.4500000000000002 110.953 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 440' ' ' TYR . . . . . 0.444 ' HB3' ' CE1' ' A' ' 442' ' ' PHE . 44.6 m-85 -115.15 119.26 35.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.179 . . . . 3.7799999999999998 110.947 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 441' ' ' TYR . . . . . 0.577 ' HB2' ' CE2' ' A' ' 433' ' ' PHE . 7.5 m-85 -98.41 117.11 32.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 4.1699999999999999 110.983 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . 0.516 ' CE2' HD13 ' A' ' 425' ' ' ILE . 90.5 m-85 -110.53 130.14 55.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 4.9900000000000002 110.97 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 443' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -109.63 110.79 21.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 6.2400000000000002 110.986 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -133.88 69.04 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 4.0700000000000003 110.285 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 116.37 -111.95 2.47 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.505 1.128 . . . . 2.3199999999999998 110.963 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 81.8 p -126.58 39.36 3.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 2.5299999999999998 109.95 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -150.76 143.0 24.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 3.21 109.326 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 448' ' ' GLN . . . . . 0.439 ' CG ' ' HB3' ' A' ' 462' ' ' LEU . 12.6 pt20 -123.77 105.52 9.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 4.1200000000000001 110.316 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 449' ' ' PHE . . . . . 0.577 ' CD1' HG21 ' A' ' 461' ' ' THR . 55.5 m-85 -83.56 151.88 25.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 3.9300000000000002 111.021 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . 0.481 ' OE1' ' CZ ' ' A' ' 441' ' ' TYR . 2.5 tt0 -113.97 92.12 3.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 4.1100000000000003 110.322 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 451' ' ' TYR . . . . . 0.493 ' CD2' HG13 ' A' ' 458' ' ' ILE . 1.1 t80 -83.19 114.24 21.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 4.4900000000000002 111.034 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.71 139.54 37.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 3.7400000000000002 109.307 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -72.08 -8.5 54.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.584 1.178 . . . . 5.2199999999999998 111.035 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 20.1 tp -45.1 -37.17 4.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 3.0699999999999998 109.249 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -169.56 37.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.155 . . . . 3.3700000000000001 109.325 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 39.26 57.47 2.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 5.25 110.318 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.77 138.6 27.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 5.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 458' ' ' ILE . . . . . 0.493 HG13 ' CD2' ' A' ' 451' ' ' TYR . 21.0 mt -81.7 110.63 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.581 1.176 . . . . 3.1200000000000001 109.294 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 15.1 t -95.69 -32.08 12.93 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.47 1.107 . . . . 3.1299999999999999 110.389 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.02 141.63 47.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 3.8799999999999999 109.219 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 461' ' ' THR . . . . . 0.577 HG21 ' CD1' ' A' ' 449' ' ' PHE . 96.3 m -144.88 105.14 4.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 3.04 110.39 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 462' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 466' ' ' SER . 32.7 tp -100.53 160.93 13.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 4.5599999999999996 109.263 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 463' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 466' ' ' SER . 0.0 OUTLIER -107.47 131.29 54.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 5.2000000000000002 109.302 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 464' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 463' ' ' LYS . 37.1 p -35.96 -38.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 2.6800000000000002 110.059 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -101.73 56.06 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 2.8199999999999998 109.266 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 466' ' ' SER . . . . . 0.47 ' HB3' ' CD1' ' A' ' 462' ' ' LEU . 1.9 t -146.97 61.55 1.19 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 3.3900000000000001 109.985 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -171.57 -42.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 6.54 107.996 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 468' ' ' PHE . . . . . 0.507 ' N ' ' CD1' ' A' ' 468' ' ' PHE . 1.2 m-30 -72.34 -24.55 61.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 7.5599999999999996 110.958 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 98.5 57.29 1.0 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 3.1899999999999999 111.068 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 N-CA-C 108.296 -1.002 . . . . 3.8700000000000001 108.296 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 281' ' ' LEU . . . . . 0.431 ' CD1' ' OG1' ' A' ' 316' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.302 -0.629 . . . . 4.6299999999999999 109.302 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 282' ' ' CYS . . . . . 1.058 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 3.8 t -173.65 44.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 4.8499999999999996 108.306 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.03 134.41 1.16 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 4.4100000000000001 109.282 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 284' ' ' PRO . . . . . 0.457 ' HB3' ' CB ' ' A' ' 463' ' ' LYS . 18.2 Cg_endo -75.01 69.68 5.5 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.494 1.786 . . . . 2.6299999999999999 110.987 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -132.81 19.96 4.18 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.516 1.135 . . . . 4.2999999999999998 109.297 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 4.4 tp -109.46 164.53 12.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 3.5899999999999999 109.281 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 14.4 p -144.12 178.29 7.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 2.9900000000000002 109.996 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 288' ' ' PHE . . . . . 0.752 ' CE2' ' CD1' ' A' ' 300' ' ' PHE . 19.8 m-85 -140.19 171.59 13.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 4.0800000000000001 110.982 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -141.89 -51.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 3.3999999999999999 109.289 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -147.61 130.1 15.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 2.2599999999999998 109.285 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 291' ' ' VAL . . . . . . . . . . . . . 1.9 p -141.89 145.73 23.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 3.5600000000000001 109.289 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 292' ' ' THR . . . . . 0.436 ' HB ' ' CB ' ' A' ' 335' ' ' ALA . 9.1 t -147.98 126.9 12.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 2.54 110.344 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 12.7 t -90.57 155.65 18.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 2.4300000000000002 110.418 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 294' ' ' VAL . . . . . 0.401 ' O ' ' CG2' ' A' ' 294' ' ' VAL . 28.6 m -145.84 82.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 4.7000000000000002 109.33 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 295' ' ' GLY . . . . . 0.431 ' CA ' ' OE1' ' A' ' 339' ' ' GLU . . . 85.97 -106.71 3.08 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.51 1.131 . . . . 2.1499999999999999 110.996 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -113.28 3.72 16.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 0.776 . . . . 3.6400000000000001 109.289 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -112.53 131.34 55.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 3.3999999999999999 109.286 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 1.3 mt -107.88 126.1 64.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 3.3700000000000001 109.257 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -103.98 87.66 2.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 3.8999999999999999 110.99 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 300' ' ' PHE . . . . . 0.752 ' CD1' ' CE2' ' A' ' 288' ' ' PHE . 0.4 OUTLIER -86.44 128.13 34.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 8.25 111.042 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 301' ' ' PHE . . . . . 0.415 ' N ' ' CD1' ' A' ' 300' ' ' PHE . 94.9 m-85 -113.17 151.58 30.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 3.9399999999999999 110.996 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 302' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 305' ' ' PHE . 24.4 tptp -144.78 89.99 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 4.46 109.288 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 303' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 331' ' ' GLY . 3.0 m-20 63.76 -85.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 3.3300000000000001 109.289 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 304' ' ' ARG . . . . . 0.401 ' HG2' ' CD2' ' A' ' 305' ' ' PHE . 0.0 OUTLIER -120.78 -28.6 4.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.393 1.058 . . . . 5.4000000000000004 110.315 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 305' ' ' PHE . . . . . 0.504 ' HB3' ' CH2' ' A' ' 307' ' ' TRP . 65.5 m-85 -93.52 149.32 21.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 4.7400000000000002 110.935 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 306' ' ' PHE . . . . . 0.545 ' C ' ' CD1' ' A' ' 306' ' ' PHE . 2.1 p90 -135.62 160.82 37.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 2.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 307' ' ' TRP . . . . . 0.624 ' CD1' ' O ' ' A' ' 317' ' ' SER . 8.5 m-90 -137.59 127.55 25.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 5.5300000000000002 107.983 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.51 125.74 44.71 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.502 1.126 . . . . 4.0099999999999998 109.297 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.19 136.52 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 5.0899999999999999 109.306 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 310' ' ' VAL . . . . . 0.52 ' O ' ' C ' ' A' ' 311' ' ' SER . 0.8 OUTLIER -176.98 -77.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.157 . . . . 3.2999999999999998 109.272 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 311' ' ' SER . . . . . 0.52 ' C ' ' O ' ' A' ' 310' ' ' VAL . 9.4 t -29.07 -90.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 4.6699999999999999 110.048 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -114.43 -29.58 6.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 5.25 110.261 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 45.5 mtt85 -39.06 101.08 0.22 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 5.4000000000000004 110.335 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 -24.33 13.17 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.507 1.793 . . . . 3.5800000000000001 111.062 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -125.35 146.92 49.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 4.04 109.309 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 316' ' ' THR . . . . . 0.563 HG23 ' CE2' ' A' ' 468' ' ' PHE . 76.2 p -74.73 137.56 42.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.12 . . . . 2.3599999999999999 110.374 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 317' ' ' SER . . . . . 0.624 ' O ' ' CD1' ' A' ' 307' ' ' TRP . 4.9 t -81.2 161.96 23.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 2.2999999999999998 110.025 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 6.7 t -131.91 109.78 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 4.6299999999999999 109.313 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -153.21 176.58 11.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 2.29 109.309 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -109.12 157.24 18.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 3.0099999999999998 109.308 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 321' ' ' ILE . . . . . . . . . . . . . 5.3 mt -60.38 -71.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 2.1099999999999999 109.334 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 16.0 m -41.36 -48.57 3.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 2.46 110.017 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 1.1 m -39.77 -36.64 0.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 2.6600000000000001 110.014 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.97 -87.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 3.1499999999999999 109.259 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -43.1 153.23 0.35 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 2.1699999999999999 108.04 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 326' ' ' PRO . . . . . 0.4 ' HG2' ' CD ' ' A' ' 360' ' ' PRO . 18.2 Cg_endo -75.04 -69.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 1.05 110.954 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 327' ' ' THR . . . . . 0.415 ' O ' ' CD2' ' A' ' 328' ' ' LEU . 0.5 OUTLIER -128.57 96.67 4.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 2.5 110.391 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 328' ' ' LEU . . . . . 0.42 ' CD2' ' HG3' ' A' ' 360' ' ' PRO . 1.9 mm? -133.72 140.36 36.42 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 2.3300000000000001 109.327 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 329' ' ' PRO . . . . . 0.409 ' HD2' ' CD1' ' A' ' 328' ' ' LEU . 18.3 Cg_endo -74.93 118.16 5.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.483 1.781 . . . . 2.02 110.979 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 2.6 p -67.86 147.8 52.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 3.23 109.948 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 303' ' ' ASP . . . 75.53 50.95 7.63 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.464 1.102 . . . . 1.3200000000000001 111.035 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 8.7 mt -50.9 136.63 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 0.723 . . . . 2.7000000000000002 109.321 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -79.69 -33.01 41.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 3.0099999999999998 110.312 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -177.6 143.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 2.2000000000000002 109.298 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . 0.436 ' CB ' ' HB ' ' A' ' 292' ' ' THR . . . -114.99 126.42 54.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 2.1899999999999999 109.304 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 336' ' ' TYR . . . . . 0.595 ' C ' ' CD1' ' A' ' 336' ' ' TYR . 0.0 OUTLIER -139.95 103.4 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 4.5199999999999996 110.967 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 337' ' ' GLU . . . . . 0.685 ' CB ' ' HA ' ' A' ' 344' ' ' VAL . 1.2 mm-40 -160.58 -176.04 5.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 7.9299999999999997 110.263 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 338' ' ' ILE . . . . . 0.473 ' CG2' ' N ' ' A' ' 339' ' ' GLU . 3.6 mm -133.99 162.33 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 5.75 109.327 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . 0.473 ' N ' ' CG2' ' A' ' 338' ' ' ILE . 10.0 pt-20 -89.06 -36.2 15.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 4.7199999999999998 110.326 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -48.08 -27.04 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 3.6600000000000001 109.29 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -95.13 -23.95 17.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 5.8799999999999999 110.313 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 342' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 339' ' ' GLU . 5.0 t30 70.2 39.43 1.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 3.6499999999999999 109.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -145.31 144.37 30.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 3.21 110.331 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 344' ' ' VAL . . . . . 0.685 ' HA ' ' CB ' ' A' ' 337' ' ' GLU . 74.0 t -127.41 124.13 63.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 3.27 109.283 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 345' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -98.54 103.27 15.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.386 1.054 . . . . 4.4800000000000004 111.03 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -87.41 135.8 33.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.585 1.178 . . . . 2.8599999999999999 109.274 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -105.3 148.11 27.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 3.1699999999999999 110.962 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 348' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.0 OUTLIER -166.42 124.11 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 4.1699999999999999 109.325 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 9.1 t0 53.65 -151.88 0.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.418 1.074 . . . . 3.7999999999999998 109.279 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 350' ' ' ASP . . . . . 0.449 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 18.1 t70 -88.15 42.32 1.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 3.2999999999999998 109.257 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.449 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 11.9 mtmm -156.11 155.74 33.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 3.5600000000000001 109.256 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 352' ' ' TYR . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 366' ' ' LYS . 42.4 p90 -145.05 130.21 18.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 4.0300000000000002 111.015 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -90.2 168.15 12.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 5.1799999999999997 108.037 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 354' ' ' LEU . . . . . 0.52 ' C ' ' CD1' ' A' ' 354' ' ' LEU . 0.1 OUTLIER -131.39 116.48 17.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 3.7000000000000002 109.271 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 1.8 mp -93.41 124.88 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 2.6600000000000001 109.219 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 21.7 t -124.07 109.53 13.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 2.2400000000000002 110.034 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.14 48.35 15.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 5.5599999999999996 109.28 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.89 32.02 18.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 4.04 109.28 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -141.27 99.93 6.41 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 4.5700000000000003 110.309 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 360' ' ' PRO . . . . . 0.42 ' HG3' ' CD2' ' A' ' 328' ' ' LEU . 18.3 Cg_endo -75.02 117.67 4.99 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.48 1.779 . . . . 2.2799999999999998 110.98 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -42.35 125.12 2.84 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 3.1699999999999999 110.29 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 133.65 16.83 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.459 1.768 . . . . 3.3999999999999999 111.014 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 363' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 61.62 58.18 2.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 4.1900000000000004 109.303 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 364' ' ' TYR . . . . . 0.576 ' CE2' ' HG3' ' A' ' 366' ' ' LYS . 7.5 t80 -134.93 57.62 22.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 3.2000000000000002 110.982 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 365' ' ' PRO . . . . . 0.524 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -75.09 53.14 3.29 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.534 1.808 . . . . 1.6299999999999999 111.003 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 366' ' ' LYS . . . . . 0.576 ' HG3' ' CE2' ' A' ' 364' ' ' TYR . 7.4 mmpt? -53.17 147.63 9.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 3.8900000000000001 109.334 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 78.4 p -121.4 124.3 44.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 2.77 110.011 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 368' ' ' ILE . . . . . 0.411 ' C ' ' N ' ' A' ' 370' ' ' SER . 0.2 OUTLIER -42.95 -34.43 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 4.5099999999999998 109.338 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 369' ' ' HIS . . . . . 0.454 ' HA ' ' CB ' ' A' ' 373' ' ' PHE . 13.9 t-160 -43.01 -28.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.564 1.165 . . . . 5.0499999999999998 109.659 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 370' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 368' ' ' ILE . 0.3 OUTLIER -50.59 -22.19 1.89 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.534 1.146 . . . . 3.8100000000000001 110.007 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 173.72 54.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 7.5099999999999998 110.985 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 372' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 374' ' ' PRO . . . -162.33 -68.87 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.149 . . . . 3.2400000000000002 110.974 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 373' ' ' PHE . . . . . 0.5 ' CZ ' ' HA ' ' A' ' 376' ' ' PHE . 22.1 t80 -35.01 96.25 0.1 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.483 0.755 . . . . 7.6699999999999999 111.012 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 374' ' ' PRO . . . . . 0.437 ' N ' ' O ' ' A' ' 372' ' ' GLY . 18.6 Cg_endo -75.02 -61.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.799 . . . . 2.7999999999999998 111.068 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -122.32 -74.1 0.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.591 1.182 . . . . 5.04 109.322 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 376' ' ' PHE . . . . . 0.5 ' HA ' ' CZ ' ' A' ' 373' ' ' PHE . 14.6 m-85 -141.93 53.52 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 8.7599999999999998 111.008 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 377' ' ' VAL . . . . . . . . . . . . . 58.1 t -94.41 99.12 8.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.468 1.105 . . . . 3.3199999999999998 109.371 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.14 30.49 4.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 3.8300000000000001 109.312 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -174.57 110.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 2.98 109.277 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 8.1 mt -97.48 150.07 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 2.1299999999999999 109.246 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.98 -54.28 4.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 2.1499999999999999 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -159.78 165.12 33.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 1.98 109.265 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -156.74 129.83 7.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 1.6899999999999999 109.261 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . 0.427 HG12 ' CG1' ' A' ' 432' ' ' VAL . 0.0 OUTLIER -132.14 170.22 20.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 3.5 109.279 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -134.35 123.64 24.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 2.3999999999999999 110.981 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -102.58 119.63 55.41 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 3.1800000000000002 109.344 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -20.12 17.03 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.417 1.746 . . . . 1.78 111.026 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.99 -28.71 32.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 3.3399999999999999 110.347 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.72 -1.41 21.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 5.3700000000000001 111.009 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 39.86 44.49 1.37 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 5.0599999999999996 111.029 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -147.47 141.57 26.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 3.77 110.295 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 4.2 m -105.03 115.1 29.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 2.3500000000000001 110.447 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -79.6 130.0 34.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 3.5299999999999998 111.02 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -107.22 109.57 21.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 3.3300000000000001 111.018 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -92.11 113.53 25.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 1.3300000000000001 110.961 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 88.5 t -137.41 125.94 33.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 2.4500000000000002 109.321 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 52.83 -152.53 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 4.0899999999999999 109.231 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -87.16 46.56 1.39 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.111 . . . . 3.2799999999999998 109.349 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -145.4 164.82 30.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 3.23 110.275 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -126.69 133.71 50.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.602 1.189 . . . . 4.0099999999999998 111.05 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 401' ' ' TRP . . . . . 0.427 ' CZ2' ' HA ' ' A' ' 412' ' ' PRO . 0.7 OUTLIER -117.46 168.51 10.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 6.3300000000000001 108.0 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -152.37 116.16 4.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 5.4100000000000001 110.268 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -100.13 125.35 46.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 7.1900000000000004 111.02 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.41 125.54 27.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.57 1.168 . . . . 2.2999999999999998 109.354 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -93.63 -49.59 5.8 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.45 1.094 . . . . 3.5800000000000001 110.341 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -65.55 -24.17 67.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.18 . . . . 8.3900000000000006 110.306 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 407' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.0 OUTLIER -97.64 -41.84 7.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 3.1000000000000001 110.267 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . 0.44 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 1.0 OUTLIER 82.0 30.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 4.5099999999999998 110.305 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 6.7 tpt -136.54 105.17 5.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 2.8100000000000001 111.047 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.35 146.74 53.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 2.7999999999999998 110.973 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -104.24 108.02 59.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 2.9399999999999999 109.321 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 412' ' ' PRO . . . . . 0.427 ' HA ' ' CZ2' ' A' ' 401' ' ' TRP . 18.3 Cg_endo -74.99 -49.12 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.539 1.81 . . . . 5.2400000000000002 110.982 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . -77.01 55.53 3.53 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.516 1.135 . . . . 2.2799999999999998 110.948 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 414' ' ' TYR . . . . . 0.49 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 1.9 t80 -134.06 62.48 57.26 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.531 0.783 . . . . 2.5800000000000001 110.988 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 415' ' ' PRO . . . . . 0.432 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -74.96 70.82 5.17 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.493 1.786 . . . . 1.6599999999999999 111.046 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . 0.49 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 9.4 mmtt -78.53 179.41 7.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 3.8500000000000001 109.294 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.13 128.83 51.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 4.3300000000000001 109.239 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 418' ' ' ILE . . . . . 0.441 ' CD1' ' O ' ' A' ' 427' ' ' PRO . 2.6 mp -56.98 -51.61 66.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 2.5499999999999998 109.252 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 419' ' ' THR . . . . . 0.415 ' HB ' ' N ' ' A' ' 427' ' ' PRO . 4.6 t -59.28 -54.73 43.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 2.3700000000000001 110.364 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -49.22 -52.79 24.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 2.6800000000000002 109.328 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -53.99 -48.74 70.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 4.2199999999999998 109.265 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 422' ' ' PHE . . . . . 0.415 ' CE1' ' CE2' ' A' ' 451' ' ' TYR . 5.9 m-85 -136.34 99.75 4.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 4.4699999999999998 110.968 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -76.92 111.97 13.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 3.0600000000000001 110.326 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 141.06 -21.82 2.63 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.549 1.155 . . . . 1.4299999999999999 110.978 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 425' ' ' ILE . . . . . 0.512 HG22 ' CD1' ' A' ' 442' ' ' PHE . 9.0 pt -95.92 -31.01 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 3.1899999999999999 109.242 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 101.62 163.16 27.12 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.444 1.09 . . . . 1.0600000000000001 111.003 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . 0.441 ' O ' ' CD1' ' A' ' 418' ' ' ILE . 18.4 Cg_endo -74.94 -1.64 11.47 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 2.0699999999999998 110.999 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.16 136.23 52.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 3.0299999999999998 109.292 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -133.93 158.35 42.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 3.2599999999999998 109.308 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 430' ' ' ASP . . . . . 0.436 ' CB ' ' O ' ' A' ' 443' ' ' PHE . 0.9 OUTLIER -115.68 -59.76 1.96 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 2.7799999999999998 109.329 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -136.82 148.4 47.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 1.8700000000000001 109.354 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.427 ' CG1' HG12 ' A' ' 384' ' ' VAL . 41.8 t -141.19 131.52 26.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 4.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 433' ' ' PHE . . . . . 0.463 ' CE1' ' HB3' ' A' ' 441' ' ' TYR . 18.0 p90 -145.72 122.94 11.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.453 1.095 . . . . 5.1299999999999999 110.993 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -90.34 100.27 13.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 4.7400000000000002 111.011 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 37.0 t -141.64 99.51 3.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 3.3399999999999999 110.023 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 436' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt 176.18 -160.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 4.96 109.265 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -93.14 -35.19 13.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 6.8899999999999997 109.262 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.47 54.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 3.6899999999999999 109.343 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -144.02 163.42 33.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 3.3900000000000001 110.963 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -128.54 127.69 42.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.077 . . . . 4.5300000000000002 110.943 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 441' ' ' TYR . . . . . 0.463 ' HB3' ' CE1' ' A' ' 433' ' ' PHE . 14.4 m-85 -104.41 150.72 24.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.08 . . . . 4.04 110.958 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . 0.512 ' CD1' HG22 ' A' ' 425' ' ' ILE . 2.2 m-85 -145.94 142.52 28.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 4.8600000000000003 111.008 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 443' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 464' ' ' SER . 0.2 OUTLIER -116.06 111.97 21.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 4.6699999999999999 110.968 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 444' ' ' GLN . . . . . 0.402 ' O ' ' ND2' ' A' ' 447' ' ' ASN . 2.3 tm0? -130.74 62.07 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 4.9800000000000004 110.269 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 445' ' ' GLY . . . . . 0.431 ' O ' ' ND2' ' A' ' 447' ' ' ASN . . . 90.97 79.36 1.38 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.123 . . . . 2.8700000000000001 110.959 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 1.5 t 42.32 54.69 4.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 3.2000000000000002 110.03 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 447' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 445' ' ' GLY . 59.0 m-20 -144.72 110.75 5.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 2.9300000000000002 109.292 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.25 77.25 1.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 4.4900000000000002 110.329 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -81.43 145.68 30.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 3.27 110.969 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.64 137.41 54.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 2.9399999999999999 110.257 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 451' ' ' TYR . . . . . 0.415 ' CE2' ' CE1' ' A' ' 422' ' ' PHE . 73.1 t80 -115.16 129.93 56.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 5.2699999999999996 110.978 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 452' ' ' ASP . . . . . 0.402 ' OD1' ' CB ' ' A' ' 454' ' ' LEU . 64.2 t0 -110.32 114.27 27.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 3.4300000000000002 109.267 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -64.75 -18.77 65.35 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 6.1900000000000004 110.956 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . 0.402 ' CB ' ' OD1' ' A' ' 452' ' ' ASP . 22.6 tp -42.96 -41.55 3.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 4.0499999999999998 109.244 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 456' ' ' GLN . 1.4 pt? -170.16 43.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 3.52 109.301 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 456' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 455' ' ' LEU . 14.2 pt20 37.85 64.08 0.72 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.425 1.078 . . . . 6.3499999999999996 110.312 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -125.28 110.44 14.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 4.71 110.34 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 81.3 mt -88.4 94.05 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.066 . . . . 2.27 109.376 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 10.6 p -107.17 45.51 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.58 1.175 . . . . 4.4000000000000004 110.427 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 460' ' ' LYS . . . . . 0.411 ' HA ' ' CE ' ' A' ' 460' ' ' LYS . 0.0 OUTLIER -155.39 74.94 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 4.5599999999999996 109.376 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 1.9 m -106.52 75.96 1.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 3.8900000000000001 110.373 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 462' ' ' LEU . . . . . 0.419 HD11 ' CA ' ' A' ' 466' ' ' SER . 1.9 pt? -128.36 -179.73 5.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 3.79 109.302 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 463' ' ' LYS . . . . . 0.529 ' N ' ' CD ' ' A' ' 463' ' ' LYS . 0.1 OUTLIER -89.37 169.09 11.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 4.4100000000000001 109.348 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 464' ' ' SER . . . . . 0.571 ' HB2' ' CE1' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -43.67 -28.4 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 2.04 109.969 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 465' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 468' ' ' PHE . 20.9 m120 -38.44 -34.35 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 3.7999999999999998 109.372 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 466' ' ' SER . . . . . 0.419 ' CA ' HD11 ' A' ' 462' ' ' LEU . 0.9 OUTLIER -43.09 -47.21 6.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 5.5 109.97 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 467' ' ' TRP . . . . . 0.61 ' O ' ' CD1' ' A' ' 468' ' ' PHE . 0.1 OUTLIER -93.23 45.89 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.026 -1.101 . . . . 8.0 108.026 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 468' ' ' PHE . . . . . 0.61 ' CD1' ' O ' ' A' ' 467' ' ' TRP . 10.9 m-85 -159.35 -41.37 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 7.7300000000000004 110.986 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 109.58 78.18 1.01 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.574 1.171 . . . . 4.8399999999999999 111.011 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 470' ' ' CYS . . . . . 1.058 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 N-CA-C 108.294 -1.002 . . . . 5.3799999999999999 108.294 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 281' ' ' LEU . . . . . 0.566 HD21 ' CZ2' ' A' ' 307' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.297 -0.631 . . . . 3.46 109.297 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 282' ' ' CYS . . . . . 1.05 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 0.1 OUTLIER 174.1 -75.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 4.4299999999999997 108.32 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.13 131.12 92.23 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 4.0499999999999998 109.285 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 84.02 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.524 1.802 . . . . 2.5899999999999999 110.991 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -155.09 26.2 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 2.5299999999999998 109.311 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.14 161.38 13.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.118 . . . . 2.8700000000000001 109.339 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 71.0 m -144.6 162.83 35.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 3.6400000000000001 109.977 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -131.88 157.11 44.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 3.1400000000000001 110.933 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -98.22 -47.59 5.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 2.7400000000000002 109.262 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -143.76 155.18 44.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 1.8500000000000001 109.303 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 291' ' ' VAL . . . . . 0.443 HG23 ' CB ' ' A' ' 431' ' ' ALA . 29.4 m -142.24 129.8 20.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.372 1.045 . . . . 3.0499999999999998 109.333 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 6.4 t -155.04 130.21 9.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 2.1099999999999999 110.303 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 10.0 t -110.14 156.99 19.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 3.8399999999999999 110.458 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 24.2 t -140.02 93.5 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 3.0899999999999999 109.297 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 82.23 -115.45 4.02 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 1.8899999999999999 111.0 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -106.49 9.04 31.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 3.46 109.264 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . 0.557 ' HG2' ' CZ ' ' A' ' 299' ' ' PHE . 7.1 tttt -114.66 141.27 48.03 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.567 1.167 . . . . 4.9400000000000004 109.282 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 11.3 mt -119.65 140.48 43.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 3.3500000000000001 109.266 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 299' ' ' PHE . . . . . 0.557 ' CZ ' ' HG2' ' A' ' 297' ' ' LYS . 35.0 m-85 -128.71 138.64 52.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 4.29 111.009 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 300' ' ' PHE . . . . . 0.41 ' CD1' HG13 ' A' ' 291' ' ' VAL . 24.3 m-85 -131.43 118.39 20.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 3.8599999999999999 111.039 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -89.46 145.35 25.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 3.7599999999999998 110.927 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -153.92 71.57 0.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 3.8700000000000001 109.312 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 43.81 85.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 3.1800000000000002 109.328 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 75.89 -56.29 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 8.0800000000000001 110.33 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 305' ' ' PHE . . . . . 0.527 ' CD2' ' HB ' ' A' ' 318' ' ' VAL . 3.2 m-85 -80.06 122.54 26.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 4.1799999999999997 111.041 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 306' ' ' PHE . . . . . 0.535 ' CD1' HG13 ' A' ' 321' ' ' ILE . 52.3 p90 -121.85 137.79 54.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.448 1.092 . . . . 2.23 111.046 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 307' ' ' TRP . . . . . 0.566 ' CZ2' HD21 ' A' ' 281' ' ' LEU . 4.2 m0 -89.4 127.69 35.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 6.7800000000000002 107.999 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.35 119.07 35.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.078 . . . . 2.8100000000000001 109.307 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 309' ' ' LYS . . . . . 0.42 ' HB2' ' CG2' ' A' ' 316' ' ' THR . 6.4 tptt -136.93 90.26 2.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 2.9500000000000002 109.274 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 310' ' ' VAL . . . . . 0.407 ' CG2' ' HA ' ' A' ' 297' ' ' LYS . 7.7 p -114.11 170.06 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 3.9700000000000002 109.364 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.5 139.32 55.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 5.5199999999999996 110.004 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 70.39 33.13 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 4.71 110.276 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -106.41 131.3 21.83 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 6.1799999999999997 110.303 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -43.23 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.482 1.78 . . . . 2.8500000000000001 110.991 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.03 172.25 17.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.09 . . . . 4.1399999999999997 109.333 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 316' ' ' THR . . . . . 0.42 ' CG2' ' HB2' ' A' ' 309' ' ' LYS . 32.6 p -95.04 131.33 41.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 2.6200000000000001 110.435 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.47 176.46 6.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 2.1800000000000002 109.945 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 318' ' ' VAL . . . . . 0.527 ' HB ' ' CD2' ' A' ' 305' ' ' PHE . 0.7 OUTLIER -142.1 60.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 3.48 109.252 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 319' ' ' ASN . . . . . 0.436 ' O ' ' CD1' ' A' ' 306' ' ' PHE . 0.8 OUTLIER -94.41 174.23 7.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 2.9500000000000002 109.274 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -88.94 141.12 28.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 5.3099999999999996 109.365 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 321' ' ' ILE . . . . . 0.535 HG13 ' CD1' ' A' ' 306' ' ' PHE . 2.5 mt -70.16 -50.23 48.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 2.6699999999999999 109.236 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 322' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 324' ' ' LEU . 0.5 OUTLIER -38.2 -37.61 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 2.6200000000000001 109.988 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 13.0 t -41.31 -27.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 2.9900000000000002 109.987 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 322' ' ' SER . 3.2 mp -113.45 -73.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 3.02 109.276 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 5.2 m0 -51.84 139.59 31.35 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 2.7599999999999998 108.024 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -87.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.512 1.796 . . . . 1.75 111.017 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 327' ' ' THR . . . . . 0.431 HG23 ' CZ3' ' A' ' 353' ' ' TRP . 1.4 t -97.75 89.58 4.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 2.6400000000000001 110.443 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -140.95 162.28 49.26 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 3.1499999999999999 109.293 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 329' ' ' PRO . . . . . 0.435 ' O ' ' CB ' ' A' ' 330' ' ' SER . 18.3 Cg_endo -75.0 -41.78 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.555 1.819 . . . . 3.1200000000000001 110.997 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 330' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 329' ' ' PRO . 0.9 OUTLIER 80.07 1.1 2.05 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.553 1.158 . . . . 5.1100000000000003 110.022 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -140.3 57.29 0.6 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.517 1.135 . . . . 2.0499999999999998 110.973 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.15 149.27 10.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.441 0.73 . . . . 2.8399999999999999 109.301 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -106.36 -21.29 13.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.587 1.179 . . . . 3.6299999999999999 110.326 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -141.61 111.58 6.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 1.96 109.299 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -120.59 136.52 54.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 1.8999999999999999 109.34 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 336' ' ' TYR . . . . . 0.515 ' C ' ' CD1' ' A' ' 336' ' ' TYR . 0.0 OUTLIER -127.5 171.97 11.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 4.1900000000000004 110.941 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 337' ' ' GLU . . . . . 0.476 ' N ' ' CG ' ' A' ' 336' ' ' TYR . 50.5 tp10 -147.49 159.75 43.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 3.6299999999999999 110.343 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 338' ' ' ILE . . . . . 0.572 HD11 ' CD1' ' A' ' 385' ' ' PHE . 1.3 tt -152.1 100.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 4.4100000000000001 109.334 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.31 -14.74 62.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 2.9300000000000002 110.323 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -69.27 -50.92 42.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 3.6000000000000001 109.284 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 341' ' ' ARG . . . . . 0.466 ' O ' ' CB ' ' A' ' 342' ' ' ASN . 14.3 mtp180 -89.57 -32.24 17.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 4.1200000000000001 110.301 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 342' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 341' ' ' ARG . 0.5 OUTLIER 79.37 52.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 2.8399999999999999 109.253 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.18 148.17 39.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 4.6299999999999999 110.327 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 344' ' ' VAL . . . . . 0.438 ' CG2' ' OE1' ' A' ' 337' ' ' GLU . 23.3 t -116.09 139.46 42.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 2.6600000000000001 109.252 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 345' ' ' PHE . . . . . 0.404 ' HB2' ' CD1' ' A' ' 336' ' ' TYR . 0.0 OUTLIER -122.58 137.86 54.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 5.0199999999999996 110.955 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -118.11 131.23 56.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 2.5099999999999998 109.288 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -109.73 140.07 44.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.09 . . . . 3.3199999999999998 111.021 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 348' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.1 OUTLIER -160.48 111.11 1.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 5.1399999999999997 109.368 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 3.1 t0 57.51 -150.4 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 3.0299999999999998 109.349 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 350' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 38.6 p-10 -84.78 41.26 0.85 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 3.1899999999999999 109.219 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.409 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 10.8 mttp -156.43 141.53 17.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 2.3599999999999999 109.335 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 352' ' ' TYR . . . . . 0.562 ' CD1' HG22 ' A' ' 368' ' ' ILE . 43.7 p90 -146.96 123.92 11.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.423 1.077 . . . . 4.1200000000000001 111.019 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 353' ' ' TRP . . . . . 0.435 ' CZ3' ' O ' ' A' ' 361' ' ' GLU . 31.4 m95 -92.05 158.63 16.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 7.7400000000000002 107.979 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 354' ' ' LEU . . . . . 0.499 ' C ' ' CD1' ' A' ' 354' ' ' LEU . 0.0 OUTLIER -118.9 117.22 28.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 2.7200000000000002 109.288 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 2.7 mp -91.37 107.94 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 2.1499999999999999 109.281 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 18.3 t -87.59 98.6 11.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 2.5800000000000001 109.973 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 73.93 -63.68 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 4.0599999999999996 109.362 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -165.97 30.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 4.4400000000000004 109.295 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 1.5 tpt85 -148.21 115.73 3.99 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 6.3300000000000001 110.26 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 360' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.78 22.15 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.558 1.82 . . . . 1.5 111.021 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 361' ' ' GLU . . . . . 0.435 ' O ' ' CZ3' ' A' ' 353' ' ' TRP . 16.6 mm-40 -56.99 122.2 51.38 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 2.3199999999999998 110.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.23 15.22 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 2.1200000000000001 110.984 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 363' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 62.73 61.4 1.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 4.5700000000000003 109.309 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 364' ' ' TYR . . . . . 0.522 ' N ' ' HD3' ' A' ' 365' ' ' PRO . 2.6 t80 -135.75 57.46 19.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 3.6099999999999999 111.053 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 365' ' ' PRO . . . . . 0.522 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -74.98 49.4 2.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 1.5900000000000001 110.999 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 366' ' ' LYS . . . . . 0.436 ' CB ' ' CZ ' ' A' ' 352' ' ' TYR . 7.2 mmpt? -51.82 153.89 2.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 3.1499999999999999 109.251 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 367' ' ' SER . . . . . 0.574 ' HB3' ' CE1' ' A' ' 369' ' ' HIS . 18.4 m -122.61 120.95 35.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 2.3500000000000001 110.042 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 368' ' ' ILE . . . . . 0.562 HG22 ' CD1' ' A' ' 352' ' ' TYR . 8.4 pt -60.52 -31.43 48.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 2.7599999999999998 109.276 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 369' ' ' HIS . . . . . 0.574 ' CE1' ' HB3' ' A' ' 367' ' ' SER . 3.4 p-80 -68.15 -29.66 68.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 5.2800000000000002 109.677 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 29.1 t -68.62 -7.81 36.36 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.541 1.15 . . . . 3.04 109.967 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -99.64 36.32 1.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 6.1299999999999999 111.078 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . 121.04 -69.99 0.4 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.485 1.115 . . . . 4.1299999999999999 110.986 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 373' ' ' PHE . . . . . 0.565 ' O ' ' CD2' ' A' ' 373' ' ' PHE . 3.4 t80 58.16 102.72 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.439 0.729 . . . . 6.1200000000000001 110.963 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 374' ' ' PRO . . . . . 0.409 ' CG ' HG21 ' A' ' 377' ' ' VAL . 18.5 Cg_endo -74.97 -78.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 2.9399999999999999 111.006 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 375' ' ' ASN . . . . . 0.479 ' ND2' ' H ' ' A' ' 376' ' ' PHE . 0.4 OUTLIER -122.61 -75.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 7.8700000000000001 109.308 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 376' ' ' PHE . . . . . 0.479 ' H ' ' ND2' ' A' ' 375' ' ' ASN . 1.6 t80 -126.91 82.57 2.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 9.0199999999999996 110.961 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 377' ' ' VAL . . . . . 0.409 HG21 ' CG ' ' A' ' 374' ' ' PRO . 87.5 t -126.11 80.54 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 3.4399999999999999 109.351 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.05 -0.44 10.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 4.54 109.335 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.19 127.1 7.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 4.5700000000000003 109.312 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 9.0 mt -98.46 150.15 5.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 1.96 109.272 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.89 -47.04 13.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 1.9199999999999999 109.299 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -153.39 158.12 40.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 1.75 109.26 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -150.74 120.38 6.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 1.78 109.346 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 9.0 p -140.29 157.06 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.374 1.047 . . . . 3.2799999999999998 109.28 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 385' ' ' PHE . . . . . 0.572 ' CD1' HD11 ' A' ' 338' ' ' ILE . 51.8 t80 -98.42 153.43 18.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 2.7200000000000002 111.021 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 386' ' ' ASN . . . . . 0.431 ' ND2' ' CE1' ' A' ' 393' ' ' TYR . 0.3 OUTLIER -113.46 120.87 38.85 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 3.8399999999999999 109.322 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -44.38 0.34 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 2.7999999999999998 111.009 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 1.3 tpt85 -84.39 44.06 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 3.04 110.3 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 389' ' ' PHE . . . . . 0.589 ' C ' ' CG ' ' A' ' 390' ' ' TYR . 0.1 OUTLIER -171.07 -36.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 4.0 110.986 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 390' ' ' TYR . . . . . 0.589 ' CG ' ' C ' ' A' ' 389' ' ' PHE . 1.9 m-85 73.01 30.07 1.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 3.46 110.992 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 10.6 mtt85 -133.92 154.29 51.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 4.0599999999999996 110.3 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 20.7 m -86.35 179.4 6.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 2.21 110.406 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . 0.431 ' CE1' ' ND2' ' A' ' 386' ' ' ASN . 7.5 m-85 -136.41 113.13 10.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 2.48 110.984 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -99.4 103.65 15.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 4.4699999999999998 111.017 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 395' ' ' PHE . . . . . 0.449 ' CE1' HG22 ' A' ' 418' ' ' ILE . 18.5 m-85 -101.74 112.22 24.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 1.8899999999999999 111.024 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 3.9 p -138.85 130.94 37.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.39 1.056 . . . . 3.8700000000000001 109.281 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 397' ' ' ASP . . . . . 0.455 ' N ' ' OD1' ' A' ' 397' ' ' ASP . 0.1 OUTLIER 55.7 -152.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 3.25 109.284 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 398' ' ' ASN . 34.1 t30 -87.97 50.31 1.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 3.7599999999999998 109.311 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 399' ' ' GLN . . . . . 0.45 ' HB3' ' CZ3' ' A' ' 401' ' ' TRP . 0.2 OUTLIER -150.18 167.02 28.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 2.77 110.303 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 400' ' ' TYR . . . . . 0.453 ' CE1' ' O ' ' A' ' 401' ' ' TRP . 0.6 OUTLIER -143.39 120.08 11.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 4.1500000000000004 110.976 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 401' ' ' TRP . . . . . 0.453 ' O ' ' CE1' ' A' ' 400' ' ' TYR . 11.6 m-90 -108.84 179.49 4.16 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.943 -1.132 . . . . 6.4400000000000004 107.943 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 402' ' ' ARG . . . . . 0.41 ' NH1' ' CD2' ' A' ' 389' ' ' PHE . 1.3 tpp180 -145.31 127.31 15.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.581 1.176 . . . . 5.0899999999999999 110.259 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -119.0 129.64 55.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 5.9199999999999999 111.016 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.39 128.5 35.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 3.0099999999999998 109.278 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -86.22 -50.63 6.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.599 1.187 . . . . 4.1799999999999997 110.329 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -61.36 -56.64 18.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 11.880000000000001 110.233 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -67.23 -38.75 85.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 4.54 110.3 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 70.5 49.77 0.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 5.1900000000000004 110.34 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 4.6 tpt -149.81 100.73 2.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 3.0899999999999999 111.071 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.17 140.04 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 2.96 110.97 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.88 158.68 85.46 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 4.3300000000000001 109.261 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 412' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -75.01 134.46 17.82 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.463 1.77 . . . . 3.9399999999999999 111.039 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 43.37 -92.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.424 1.077 . . . . 3.1899999999999999 110.974 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 414' ' ' TYR . . . . . 0.587 ' N ' ' HD3' ' A' ' 415' ' ' PRO . 0.1 OUTLIER 63.79 53.89 1.57 Allowed Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.517 0.775 . . . . 4.5800000000000001 111.037 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 415' ' ' PRO . . . . . 0.587 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.4 Cg_endo -74.89 60.34 5.33 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.524 1.802 . . . . 3.1400000000000001 111.032 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . 0.447 ' NZ ' ' CE2' ' A' ' 414' ' ' TYR . 8.5 mtpt -92.45 177.14 6.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 7.7599999999999998 109.265 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.26 163.44 20.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 3.8300000000000001 109.29 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 418' ' ' ILE . . . . . 0.449 HG22 ' CE1' ' A' ' 395' ' ' PHE . 2.8 mp -70.18 -56.39 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 2.3900000000000001 109.281 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 419' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 423' ' ' GLN . 3.9 t -57.12 -54.11 50.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 2.4399999999999999 110.414 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -40.59 -52.42 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 4.2000000000000002 109.267 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -70.58 -62.97 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 4.0800000000000001 109.323 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 422' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -118.93 80.97 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 3.7799999999999998 111.022 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 423' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 419' ' ' THR . 0.0 OUTLIER -87.2 66.84 9.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 3.3100000000000001 110.321 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -118.72 -18.36 4.82 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.5 1.125 . . . . 2.4199999999999999 111.023 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 425' ' ' ILE . . . . . 0.482 ' CG2' ' HB2' ' A' ' 449' ' ' PHE . 0.2 OUTLIER -126.41 -43.38 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 4.8399999999999999 109.298 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 426' ' ' GLY . . . . . 0.434 ' C ' ' H ' ' A' ' 428' ' ' LYS . . . 152.09 175.35 23.65 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.458 1.099 . . . . 1.4299999999999999 111.032 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . 0.46 ' HB3' ' CG2' ' A' ' 419' ' ' THR . 18.1 Cg_endo -75.07 40.97 0.7 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.45 1.763 . . . . 2.1800000000000002 110.916 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . 0.434 ' H ' ' C ' ' A' ' 426' ' ' GLY . 0.0 OUTLIER -159.72 141.07 12.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 4.1299999999999999 109.311 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 429' ' ' ILE . . . . . 0.487 ' CD1' ' HB3' ' A' ' 442' ' ' PHE . 7.5 tp -133.88 154.28 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 2.7400000000000002 109.351 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -117.91 -60.01 1.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 2.8199999999999998 109.279 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 431' ' ' ALA . . . . . 0.443 ' CB ' HG23 ' A' ' 291' ' ' VAL . . . -137.21 146.41 44.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 1.8100000000000001 109.268 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.436 ' CG1' HG12 ' A' ' 429' ' ' ILE . 29.3 m -149.63 138.81 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 3.79 109.274 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 433' ' ' PHE . . . . . 0.546 ' CE2' ' HB3' ' A' ' 435' ' ' SER . 1.5 p90 -155.0 146.18 22.81 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 3.98 111.019 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -97.62 106.56 18.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 5.1799999999999997 110.998 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 435' ' ' SER . . . . . 0.546 ' HB3' ' CE2' ' A' ' 433' ' ' PHE . 98.5 p -116.39 -36.09 4.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 3.23 110.0 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 436' ' ' LYS . . . . . 0.413 ' CB ' ' HB2' ' A' ' 439' ' ' TYR . 3.5 mmmt -62.0 -169.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 5.2800000000000002 109.318 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -91.35 -46.39 8.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 6.25 109.326 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 438' ' ' LYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 438' ' ' LYS . 0.0 OUTLIER -146.67 58.08 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 5.04 109.284 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 439' ' ' TYR . . . . . 0.504 ' CD1' ' OE2' ' A' ' 450' ' ' GLU . 89.1 m-85 -152.46 166.61 31.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.576 1.172 . . . . 3.5 111.022 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -128.94 132.26 47.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 4.1799999999999997 111.039 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 441' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -102.47 123.65 46.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 3.1600000000000001 111.032 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . 0.487 ' HB3' ' CD1' ' A' ' 429' ' ' ILE . 15.1 m-85 -123.32 146.1 48.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 4.75 110.999 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 443' ' ' PHE . . . . . 0.552 ' C ' ' CD1' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -148.75 144.44 27.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 7.1100000000000003 110.973 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -153.84 85.61 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.077 . . . . 5.6399999999999997 110.322 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 124.19 -89.8 0.4 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.141 . . . . 2.1200000000000001 111.0 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.8 43.99 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 3.4500000000000002 109.978 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -154.6 144.8 21.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 2.79 109.275 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -127.22 95.98 4.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 4.8200000000000003 110.293 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 449' ' ' PHE . . . . . 0.517 ' CE1' HG23 ' A' ' 461' ' ' THR . 3.8 m-85 -88.64 162.22 16.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 3.48 111.003 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . 0.504 ' OE2' ' CD1' ' A' ' 439' ' ' TYR . 45.1 tt0 -123.45 143.94 49.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 2.77 110.307 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -115.08 153.13 31.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 4.1699999999999999 111.029 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -141.3 127.82 20.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 3.2400000000000002 109.305 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 454' ' ' LEU . 25.6 t80 -64.22 -15.95 61.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 4.8499999999999996 110.904 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 453' ' ' PHE . 6.6 tp -39.6 -48.14 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 3.8500000000000001 109.318 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.421 ' CD1' ' HB2' ' A' ' 457' ' ' ARG . 0.3 OUTLIER -171.88 37.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 4.4500000000000002 109.334 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 46.85 74.0 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 4.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 457' ' ' ARG . . . . . 0.421 ' HB2' ' CD1' ' A' ' 455' ' ' LEU . 0.0 OUTLIER -139.81 176.18 8.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 5.4100000000000001 110.297 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 1.1 mp -112.87 122.24 66.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 2.4199999999999999 109.32 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 45.4 p -95.74 -55.83 2.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 4.7400000000000002 110.39 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.02 157.48 24.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.592 1.183 . . . . 6.4800000000000004 109.274 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 461' ' ' THR . . . . . 0.517 HG23 ' CE1' ' A' ' 449' ' ' PHE . 3.2 m -152.86 113.83 4.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 3.52 110.376 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.1 169.79 8.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 4.2400000000000002 109.277 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.79 59.2 1.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.092 . . . . 4.3600000000000003 109.315 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 59.8 p 42.64 36.07 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 3.3599999999999999 110.032 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -175.93 54.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 2.7999999999999998 109.408 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 466' ' ' SER . . . . . 0.594 ' O ' ' CD1' ' A' ' 467' ' ' TRP . 3.6 m -112.78 -17.23 12.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 3.1800000000000002 110.039 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 467' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 466' ' ' SER . 9.5 m0 -145.41 68.19 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 8.0 108.026 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 468' ' ' PHE . . . . . 0.537 ' CG ' ' O ' ' A' ' 467' ' ' TRP . 88.0 m-85 -162.35 -66.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 8.8399999999999999 111.023 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -132.25 -46.84 0.12 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 3.5899999999999999 110.976 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 470' ' ' CYS . . . . . 1.05 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 39.6 m . . . . . 0 C--N 1.325 -0.463 0 N-CA-C 108.301 -1.0 . . . . 4.25 108.301 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 281' ' ' LEU . . . . . 0.414 ' HG ' ' CE2' ' A' ' 468' ' ' PHE . 1.9 mm? . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.29 -0.633 . . . . 4.7800000000000002 109.29 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 282' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.42 60.13 3.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 4.2699999999999996 108.277 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -178.94 111.43 0.21 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 4.6500000000000004 109.301 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 90.64 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.557 1.819 . . . . 2.1299999999999999 110.969 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 285' ' ' ASN . . . . . 0.472 ' N ' HD21 ' A' ' 285' ' ' ASN . 0.1 OUTLIER -170.57 48.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 3.9300000000000002 109.354 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 6.5 tt -113.03 163.68 14.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 4.3799999999999999 109.362 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 54.4 p -142.93 163.18 33.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 3.2200000000000002 110.0 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -124.49 176.99 6.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 3.1099999999999999 111.049 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.46 -48.74 0.9 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.103 . . . . 3.3199999999999998 109.299 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 290' ' ' ALA . . . . . 0.45 ' CB ' HG23 ' A' ' 332' ' ' ILE . . . -137.58 147.91 45.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 1.96 109.254 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 291' ' ' VAL . . . . . 0.457 HG23 ' CB ' ' A' ' 431' ' ' ALA . 28.1 m -147.24 140.91 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 3.25 109.334 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -151.04 156.83 41.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 2.4199999999999999 110.383 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 8.8 t -121.59 141.0 51.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 3.3599999999999999 110.426 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 87.3 t -128.11 122.0 57.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 3.3199999999999998 109.338 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 57.35 -118.27 12.05 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 1.6899999999999999 110.944 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 296' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 296' ' ' ASN . 7.7 t30 -109.52 23.29 14.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 4.29 109.343 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -131.03 165.56 22.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.073 . . . . 5.04 109.292 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 298' ' ' ILE . . . . . 0.56 HG23 ' CZ ' ' A' ' 300' ' ' PHE . 5.7 mt -124.39 135.72 62.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 4.1399999999999997 109.27 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 299' ' ' PHE . . . . . 0.582 ' CE2' HD13 ' A' ' 308' ' ' LEU . 8.1 m-85 -133.35 97.85 4.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 4.5999999999999996 111.031 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 300' ' ' PHE . . . . . 0.56 ' CZ ' HG23 ' A' ' 298' ' ' ILE . 26.3 m-85 -80.8 156.99 25.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 3.9500000000000002 111.04 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 301' ' ' PHE . . . . . 0.442 ' HA ' ' CB ' ' A' ' 306' ' ' PHE . 9.3 m-85 -131.17 157.91 41.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 4.5499999999999998 111.01 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 302' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 305' ' ' PHE . 0.0 OUTLIER -165.14 143.12 6.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 5.0700000000000003 109.305 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 303' ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' A' ' 304' ' ' ARG . 3.7 t0 -42.3 144.69 0.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.592 1.182 . . . . 4.4400000000000004 109.295 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 304' ' ' ARG . . . . . 0.47 ' HB2' ' O ' ' A' ' 303' ' ' ASP . 0.0 OUTLIER 68.86 -72.14 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 7.5300000000000002 110.363 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 305' ' ' PHE . . . . . 0.491 ' O ' ' O ' ' A' ' 302' ' ' LYS . 7.2 m-85 -127.43 159.1 35.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 3.73 110.988 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 306' ' ' PHE . . . . . 0.442 ' CB ' ' HA ' ' A' ' 301' ' ' PHE . 8.8 p90 -119.73 176.09 5.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 2.4199999999999999 110.981 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 307' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -127.4 162.47 26.25 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.552 1.158 . . . . 5.8600000000000003 108.038 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . 0.582 HD13 ' CE2' ' A' ' 299' ' ' PHE . 3.1 tt -153.79 122.81 6.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 4.79 109.278 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -152.35 117.05 5.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 4.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 310' ' ' VAL . . . . . 0.417 HG23 ' N ' ' A' ' 298' ' ' ILE . 2.4 p -140.17 -173.29 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 4.3600000000000003 109.251 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 4.8 m -66.47 141.05 58.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 8.9199999999999999 110.018 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 72.19 28.24 2.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 6.2800000000000002 110.332 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 313' ' ' ARG . . . . . 0.408 ' NH2' ' HB2' ' A' ' 317' ' ' SER . 8.3 tpt180 -106.5 116.24 59.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 5.21 110.289 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -21.67 15.64 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 2.7599999999999998 111.031 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -169.88 159.92 8.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 5.2199999999999998 109.329 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 10.3 p -81.45 127.32 32.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 2.4300000000000002 110.411 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 317' ' ' SER . . . . . 0.408 ' HB2' ' NH2' ' A' ' 313' ' ' ARG . 0.5 OUTLIER -89.5 98.95 12.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 3.1200000000000001 109.997 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 74.3 t -91.25 122.78 43.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 3.79 109.309 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 319' ' ' ASN . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 306' ' ' PHE . 2.9 m120 -142.05 179.55 6.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 2.29 109.331 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . 0.426 ' CD1' ' O ' ' A' ' 304' ' ' ARG . 12.4 tp -98.83 152.78 19.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 3.3100000000000001 109.316 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 321' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 324' ' ' LEU . 0.7 OUTLIER -66.24 -65.83 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.426 1.079 . . . . 2.5099999999999998 109.327 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.9 -49.58 2.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 2.5600000000000001 109.962 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 1.1 m -41.27 -37.54 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 2.5499999999999998 109.988 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 321' ' ' ILE . 1.4 mt -102.24 -83.18 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 3.25 109.322 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -51.24 152.62 4.04 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 2.4500000000000002 108.004 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 326' ' ' PRO . . . . . 0.465 ' HG2' ' CG ' ' A' ' 360' ' ' PRO . 18.5 Cg_endo -74.98 -82.32 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.458 1.767 . . . . 1.1599999999999999 111.035 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 327' ' ' THR . . . . . . . . . . . . . 2.2 t -126.4 98.73 5.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 2.8799999999999999 110.367 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 328' ' ' LEU . . . . . 0.43 ' CD1' ' HD2' ' A' ' 329' ' ' PRO . 0.6 OUTLIER -115.41 162.15 26.26 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 2.3199999999999998 109.311 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 329' ' ' PRO . . . . . 0.43 ' HD2' ' CD1' ' A' ' 328' ' ' LEU . 18.3 Cg_endo -74.98 -3.01 13.29 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.507 1.793 . . . . 3.5699999999999998 111.03 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 330' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 331' ' ' GLY . 0.8 OUTLIER 50.19 -155.23 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 3.1499999999999999 109.993 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 330' ' ' SER . . . 32.15 41.07 0.08 OUTLIER Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.55 1.156 . . . . 2.02 110.984 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.45 HG23 ' CB ' ' A' ' 290' ' ' ALA . 2.1 mp -50.67 124.05 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.58 0.812 . . . . 3.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.09 -41.61 9.86 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.593 1.183 . . . . 2.9300000000000002 110.308 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -150.28 136.87 19.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 2.2000000000000002 109.313 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -127.35 133.75 50.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 2.23 109.344 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 336' ' ' TYR . . . . . 0.542 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 7.3 p90 -151.36 123.43 8.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 4.5199999999999996 111.007 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -117.99 154.44 31.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 3.7999999999999998 110.291 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 338' ' ' ILE . . . . . 0.555 HG13 ' CD2' ' A' ' 385' ' ' PHE . 27.2 mm -126.64 98.34 4.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 4.6699999999999999 109.288 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -46.47 -28.27 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 4.21 110.328 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -61.09 -40.72 94.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 2.6400000000000001 109.312 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.66 -10.38 37.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 3.9500000000000002 110.3 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 2.1 t30 53.39 42.49 32.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 2.4100000000000001 109.304 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -134.88 178.52 6.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 2.71 110.276 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 344' ' ' VAL . . . . . 0.484 ' CG2' HG22 ' A' ' 355' ' ' ILE . 15.3 m -142.94 167.59 14.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 4.2800000000000002 109.282 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 345' ' ' PHE . . . . . 0.405 ' HB2' ' CE1' ' A' ' 336' ' ' TYR . 77.9 m-85 -152.36 138.59 18.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 4.5800000000000001 111.011 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -124.14 122.13 37.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 2.8999999999999999 109.397 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -95.84 143.74 26.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 4.4000000000000004 111.029 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 348' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 351' ' ' LYS . 45.7 tptt -165.04 114.46 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 4.3499999999999996 109.267 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.5 t70 58.81 -150.63 0.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 3.2799999999999998 109.258 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 350' ' ' ASP . . . . . 0.446 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 1.4 p-10 -87.65 40.56 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 2.8100000000000001 109.306 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 4.2 mtmp? -156.57 148.54 22.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 3.3300000000000001 109.287 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 352' ' ' TYR . . . . . 0.53 ' CE1' ' HB3' ' A' ' 366' ' ' LYS . 32.5 p90 -145.42 132.19 20.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 3.6499999999999999 111.003 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 353' ' ' TRP . . . . . 0.517 ' CZ3' ' O ' ' A' ' 361' ' ' GLU . 11.1 m95 -89.87 174.0 7.93 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.99 -1.115 . . . . 7.8200000000000003 107.99 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 354' ' ' LEU . . . . . . . . . . . . . 1.7 tp -135.41 114.58 12.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 2.6299999999999999 109.326 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . 0.484 HG22 ' CG2' ' A' ' 344' ' ' VAL . 1.9 mp -104.3 118.16 51.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 2.4399999999999999 109.32 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 356' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 358' ' ' LEU . 90.7 p -101.55 101.39 11.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 2.7200000000000002 110.005 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 69.49 -62.38 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.08 . . . . 4.8799999999999999 109.337 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 358' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 356' ' ' SER . 1.8 tp -172.11 73.32 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 5.7000000000000002 109.282 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 175.16 106.54 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 5.21 110.31 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 360' ' ' PRO . . . . . 0.465 ' CG ' ' HG2' ' A' ' 326' ' ' PRO . 18.0 Cg_endo -75.06 117.78 5.02 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.502 1.791 . . . . 1.8999999999999999 110.98 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 361' ' ' GLU . . . . . 0.517 ' O ' ' CZ3' ' A' ' 353' ' ' TRP . 3.5 mm-40 -40.62 123.94 1.85 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 2.1800000000000002 110.3 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 129.46 12.36 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.594 1.839 . . . . 2.1800000000000002 111.004 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 363' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 61.02 62.81 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 3.6899999999999999 109.261 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 364' ' ' TYR . . . . . 0.577 ' CD1' ' HE3' ' A' ' 366' ' ' LYS . 0.5 OUTLIER -136.08 55.56 12.25 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 3.3599999999999999 111.002 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 365' ' ' PRO . . . . . 0.565 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -74.94 51.72 2.84 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 1.3600000000000001 111.001 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 366' ' ' LYS . . . . . 0.577 ' HE3' ' CD1' ' A' ' 364' ' ' TYR . 0.1 OUTLIER -54.79 156.96 3.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 2.6699999999999999 109.302 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 367' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 370' ' ' SER . 0.7 OUTLIER -119.95 118.41 30.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 2.8199999999999998 110.016 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 368' ' ' ILE . . . . . 0.479 HG21 ' CD1' ' A' ' 352' ' ' TYR . 1.2 pt -51.25 -37.99 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 2.6299999999999999 109.324 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 369' ' ' HIS . . . . . 0.554 ' C ' ' CD2' ' A' ' 369' ' ' HIS . 0.1 OUTLIER -62.68 -15.13 51.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 5.8700000000000001 109.584 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 370' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 367' ' ' SER . 17.7 t -64.54 -10.46 26.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 2.8100000000000001 109.982 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 371' ' ' PHE . . . . . 0.525 ' CD2' ' O ' ' A' ' 371' ' ' PHE . 5.0 p90 -152.03 29.53 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 9.3300000000000001 111.012 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 372' ' ' GLY . . . . . 0.526 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -142.44 -49.11 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.136 . . . . 3.5899999999999999 110.967 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 373' ' ' PHE . . . . . 0.643 ' O ' ' CD2' ' A' ' 373' ' ' PHE . 17.6 p90 27.33 59.27 0.56 Allowed Pre-proline 0 C--N 1.323 -0.557 0 O-C-N 124.474 0.749 . . . . 11.44 110.973 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 374' ' ' PRO . . . . . 0.539 ' HB2' ' CZ2' ' A' ' 401' ' ' TRP . 18.5 Cg_endo -74.97 -4.61 15.66 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.526 1.803 . . . . 3.6000000000000001 111.039 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 64.18 30.57 13.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 6.3099999999999996 109.248 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 2.6 t80 178.61 50.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 7.1500000000000004 111.027 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 377' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -104.23 161.18 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 4.0999999999999996 109.299 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.54 -39.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 4.5800000000000001 109.326 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -162.7 136.54 6.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 4.4699999999999998 109.292 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 6.4 mt -93.73 149.46 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 2.0699999999999998 109.274 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 381' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 429' ' ' ILE . 0.8 OUTLIER -89.12 -50.78 5.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 2.1800000000000002 109.336 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 382' ' ' ALA . . . . . 0.407 ' CB ' HG13 ' A' ' 432' ' ' VAL . . . -155.4 166.39 33.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.588 1.18 . . . . 2.2400000000000002 109.223 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -156.67 120.98 4.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.5800000000000001 109.302 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 2.1 t -128.24 145.39 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 3.5 109.236 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 385' ' ' PHE . . . . . 0.555 ' CD2' HG13 ' A' ' 338' ' ' ILE . 0.1 OUTLIER -104.4 127.97 52.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 6.5099999999999998 111.029 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -115.0 104.72 53.81 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 2.8799999999999999 109.321 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -12.06 21.36 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.465 1.771 . . . . 3.2000000000000002 111.016 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.22 -30.61 34.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 3.6400000000000001 110.289 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -117.36 14.03 14.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 4.7800000000000002 111.011 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 390' ' ' TYR . . . . . 0.52 ' O ' ' CB ' ' A' ' 405' ' ' GLU . 28.1 m-85 38.84 45.97 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 3.7200000000000002 110.978 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 391' ' ' ARG . . . . . 0.502 ' CG ' ' N ' ' A' ' 392' ' ' THR . 17.8 ttt-85 -149.16 159.06 44.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 10.130000000000001 110.307 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 392' ' ' THR . . . . . 0.502 ' N ' ' CG ' ' A' ' 391' ' ' ARG . 7.1 m -119.55 129.72 54.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 1.8899999999999999 110.393 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . 0.447 ' HB3' ' CE1' ' A' ' 395' ' ' PHE . 70.9 m-85 -79.28 100.56 7.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 2.4399999999999999 110.999 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -91.21 101.33 14.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 3.5800000000000001 111.01 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 395' ' ' PHE . . . . . 0.447 ' CE1' ' HB3' ' A' ' 393' ' ' TYR . 94.3 m-85 -90.1 117.73 29.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 1.8700000000000001 110.985 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 396' ' ' VAL . . . . . 0.563 HG21 ' CE3' ' A' ' 401' ' ' TRP . 51.0 t -137.16 128.84 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 3.0099999999999998 109.244 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 56.15 -149.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 3.1499999999999999 109.346 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -88.2 40.0 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 2.9399999999999999 109.327 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 399' ' ' GLN . . . . . 0.501 ' OE1' ' CB ' ' A' ' 415' ' ' PRO . 54.9 mt-30 -150.23 176.65 10.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 2.8199999999999998 110.297 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 400' ' ' TYR . . . . . 0.614 ' O ' ' CD1' ' A' ' 400' ' ' TYR . 16.5 p90 -136.27 129.13 31.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 7.1500000000000004 110.997 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 401' ' ' TRP . . . . . 0.563 ' CE3' HG21 ' A' ' 396' ' ' VAL . 15.8 m0 -91.64 170.38 9.97 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.04 -1.096 . . . . 7.0300000000000002 108.04 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.05 99.58 3.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 5.0199999999999996 110.294 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 403' ' ' TYR . . . . . 0.428 ' O ' ' CG ' ' A' ' 403' ' ' TYR . 14.1 t80 -102.27 85.17 2.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 6.3799999999999999 111.069 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -49.84 136.95 17.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 2.7799999999999998 109.359 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 390' ' ' TYR . 0.5 OUTLIER -101.67 -40.69 6.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 4.0099999999999998 110.329 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . 0.459 ' HB3' ' CB ' ' A' ' 390' ' ' TYR . 1.7 ppt_? -56.75 -36.25 69.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 9.7100000000000009 110.305 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 407' ' ' ARG . . . . . 0.462 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.0 OUTLIER -100.08 -38.47 8.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 3.6200000000000001 110.271 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . 0.462 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 2.9 tt0 83.5 22.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 2.9100000000000001 110.31 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.84 124.09 44.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 3.6499999999999999 110.959 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.86 138.29 36.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 4.0700000000000003 111.007 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.86 138.69 78.3 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 3.54 109.264 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 111.59 3.36 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.476 1.777 . . . . 3.27 111.015 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 40.14 93.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 3.3199999999999998 111.078 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 414' ' ' TYR . . . . . 0.431 ' CE1' ' HG3' ' A' ' 416' ' ' LYS . 1.6 t80 -132.81 62.16 60.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 5.4699999999999998 111.034 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 415' ' ' PRO . . . . . 0.501 ' CB ' ' OE1' ' A' ' 399' ' ' GLN . 18.4 Cg_endo -74.97 85.8 1.48 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.481 1.779 . . . . 3.6600000000000001 110.994 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . 0.576 ' HB2' ' CE2' ' A' ' 400' ' ' TYR . 41.4 mmtt -101.14 -170.91 1.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 5.3300000000000001 109.353 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.11 138.94 51.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 3.3500000000000001 109.253 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 418' ' ' ILE . . . . . 0.403 ' C ' ' N ' ' A' ' 420' ' ' LYS . 5.0 mt -69.16 -67.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 2.0699999999999998 109.327 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 419' ' ' THR . . . . . 0.409 ' HB ' ' N ' ' A' ' 427' ' ' PRO . 5.3 t -39.64 -31.56 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.414 1.071 . . . . 2.2799999999999998 110.34 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 418' ' ' ILE . 10.6 mttt -69.58 -60.04 2.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 4.2400000000000002 109.279 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -58.07 -48.84 78.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 3.6000000000000001 109.334 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 422' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -120.92 103.36 9.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.524 1.14 . . . . 3.5600000000000001 111.018 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.38 99.26 12.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.177 . . . . 2.4700000000000002 110.343 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 163.82 -38.34 0.32 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 1.55 111.015 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 425' ' ' ILE . . . . . 0.439 HG22 ' CZ ' ' A' ' 442' ' ' PHE . 6.7 pt -82.83 -54.0 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.408 0.711 . . . . 3.6099999999999999 109.291 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 128.65 168.05 12.32 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.12 . . . . 1.3999999999999999 111.02 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . 0.409 ' N ' ' HB ' ' A' ' 419' ' ' THR . 18.5 Cg_endo -74.98 -10.16 21.12 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.533 1.807 . . . . 1.53 111.05 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -125.43 133.74 52.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 4.0199999999999996 109.245 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 429' ' ' ILE . . . . . 0.458 ' CD1' ' CD2' ' A' ' 442' ' ' PHE . 6.1 mm -138.34 119.04 16.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.523 1.14 . . . . 3.6699999999999999 109.292 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.28 -49.91 73.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.433 1.083 . . . . 2.8399999999999999 109.317 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 431' ' ' ALA . . . . . 0.457 ' CB ' HG23 ' A' ' 291' ' ' VAL . . . -169.57 158.31 7.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 2.5800000000000001 109.288 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.407 HG13 ' CB ' ' A' ' 382' ' ' ALA . 3.8 p -159.02 153.69 5.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 3.3100000000000001 109.318 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 433' ' ' PHE . . . . . 0.456 ' CE1' ' HB2' ' A' ' 441' ' ' TYR . 7.9 p90 -153.27 174.6 14.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 4.3499999999999996 111.04 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -103.42 134.96 45.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 5.6399999999999997 110.988 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 435' ' ' SER . . . . . 0.431 ' O ' ' CB ' ' A' ' 436' ' ' LYS . 4.9 p -156.06 148.69 23.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 3.2200000000000002 110.0 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 436' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 435' ' ' SER . 0.6 OUTLIER 82.78 -128.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 5.6799999999999997 109.326 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -102.98 -49.43 3.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 6.0800000000000001 109.28 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.87 34.3 0.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 5.1799999999999997 109.336 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 439' ' ' TYR . . . . . 0.401 ' CD2' ' OD1' ' A' ' 452' ' ' ASP . 56.0 m-85 -100.26 132.16 45.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.599 1.187 . . . . 5.0499999999999998 111.04 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -110.78 113.62 26.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.475 1.109 . . . . 4.6299999999999999 110.969 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 441' ' ' TYR . . . . . 0.456 ' HB2' ' CE1' ' A' ' 433' ' ' PHE . 8.7 m-85 -102.14 85.51 2.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 4.1200000000000001 110.964 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . 0.502 ' CZ ' ' CB ' ' A' ' 449' ' ' PHE . 40.4 p90 -104.15 165.41 11.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 7.2199999999999998 110.975 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 443' ' ' PHE . . . . . 0.554 ' CE2' ' CG ' ' A' ' 448' ' ' GLN . 39.1 m-85 -127.64 121.64 31.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 5.8200000000000003 110.962 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -113.61 78.47 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 4.3499999999999996 110.297 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 88.44 -130.84 10.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.115 . . . . 2.29 110.982 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 10.8 p -95.42 36.51 1.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.769 . . . . 2.7799999999999998 109.965 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 447' ' ' ASN . . . . . 0.447 ' ND2' ' N ' ' A' ' 447' ' ' ASN . 0.1 OUTLIER -143.78 136.48 27.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.135 . . . . 2.6299999999999999 109.259 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 448' ' ' GLN . . . . . 0.554 ' CG ' ' CE2' ' A' ' 443' ' ' PHE . 0.8 OUTLIER -105.87 95.0 5.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 3.7000000000000002 110.308 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 449' ' ' PHE . . . . . 0.633 ' CE2' ' CG2' ' A' ' 461' ' ' THR . 38.0 m-85 -95.39 143.51 26.68 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.436 1.085 . . . . 3.4500000000000002 111.029 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -120.1 123.62 43.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.543 1.152 . . . . 4.3200000000000003 110.259 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -100.9 160.12 14.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 3.96 111.033 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 452' ' ' ASP . . . . . 0.401 ' OD1' ' CD2' ' A' ' 439' ' ' TYR . 43.2 m-20 -152.5 155.01 36.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 4.7999999999999998 109.275 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . 0.542 ' O ' ' CD1' ' A' ' 453' ' ' PHE . 39.0 t80 -83.71 -0.69 51.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 5.5899999999999999 110.959 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 40.2 tp -43.65 -55.34 4.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.395 1.06 . . . . 4.3399999999999999 109.296 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -148.74 22.06 1.01 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.089 . . . . 3.96 109.224 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 63.26 42.56 6.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 3.98 110.239 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -143.92 158.55 43.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 5.6600000000000001 110.319 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 3.6 mt -79.49 142.92 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 3.3500000000000001 109.326 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 41.9 p -96.61 -54.43 3.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 4.4699999999999998 110.386 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.62 154.3 26.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 5.29 109.267 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 461' ' ' THR . . . . . 0.633 ' CG2' ' CE2' ' A' ' 449' ' ' PHE . 2.3 m -153.46 95.35 1.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 3.2000000000000002 110.391 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -118.29 179.43 4.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 3.4199999999999999 109.25 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -93.89 166.23 12.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 4.1600000000000001 109.33 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 98.5 p -64.14 -51.29 64.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 3.2799999999999998 110.031 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 465' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 470' ' ' CYS . 75.0 m-20 -90.74 50.11 1.76 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 3.6400000000000001 109.264 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 44.1 t -116.77 -4.17 11.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 4.6200000000000001 109.977 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -113.92 -59.5 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 6.1100000000000003 108.064 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 468' ' ' PHE . . . . . 0.568 ' CD1' ' HB2' ' A' ' 470' ' ' CYS . 0.3 OUTLIER -38.55 -35.75 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.572 1.17 . . . . 8.4800000000000004 111.031 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 111.89 39.73 1.26 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.54 1.15 . . . . 3.1200000000000001 111.04 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 470' ' ' CYS . . . . . 0.568 ' HB2' ' CD1' ' A' ' 468' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 N-CA-C 108.274 -1.01 . . . . 5.0599999999999996 108.274 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 277' ' ' MET . . . . . . . . . . . . . 25.0 mtt . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.514 0.197 . . . . 14.960000000000001 110.989 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -90.43 153.83 46.28 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 8.9900000000000002 110.294 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -0.34 9.85 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.472 1.775 . . . . 4.5499999999999998 110.982 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 280' ' ' ALA . . . . . . . . . . . . . . . -41.3 106.59 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 3.6000000000000001 109.295 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 281' ' ' LEU . . . . . 0.56 HD13 ' CE2' ' A' ' 468' ' ' PHE . 1.3 mt -78.22 -37.91 44.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 3.7599999999999998 109.262 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 282' ' ' CYS . . . . . 1.283 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 83.3 m -84.16 52.75 2.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 3.77 108.252 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -179.04 119.54 0.23 Allowed Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 4.6600000000000001 109.316 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 91.39 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.5 1.789 . . . . 2.8100000000000001 111.0 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 285' ' ' ASN . . . . . 0.436 ' N ' HD21 ' A' ' 285' ' ' ASN . 0.1 OUTLIER 177.68 42.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 3.77 109.321 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -112.17 151.44 29.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 4.3899999999999997 109.355 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 22.7 p -145.28 160.14 41.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 2.6299999999999999 110.046 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -122.72 176.25 6.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 3.1499999999999999 110.984 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.27 -56.1 2.18 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.495 1.122 . . . . 2.29 109.307 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -146.08 159.43 43.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 2.0699999999999998 109.278 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 291' ' ' VAL . . . . . . . . . . . . . 87.0 t -150.3 136.98 12.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 3.3300000000000001 109.302 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 11.4 t -127.63 179.04 5.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 2.0699999999999998 110.339 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 12.2 p -140.37 141.48 35.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 3.3300000000000001 110.421 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 59.4 t -136.05 124.67 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 2.79 109.253 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 56.13 -93.2 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.528 1.143 . . . . 2.1600000000000001 111.041 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 -139.03 28.85 2.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.444 0.732 . . . . 3.8799999999999999 109.312 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . 0.442 ' CB ' HG11 ' A' ' 310' ' ' VAL . 20.8 mtmt -124.43 154.71 40.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 3.1499999999999999 109.303 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 6.6 pt -122.97 121.69 63.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 2.6699999999999999 109.24 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 299' ' ' PHE . . . . . 0.432 ' CD2' ' CD2' ' A' ' 308' ' ' LEU . 16.1 m-85 -110.54 134.52 52.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 4.2000000000000002 111.029 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 300' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -111.88 134.69 53.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 3.8300000000000001 111.019 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 301' ' ' PHE . . . . . 0.556 ' CD2' HD12 ' A' ' 332' ' ' ILE . 9.7 m-85 -99.13 138.11 36.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.174 . . . . 3.4900000000000002 110.956 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 302' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 305' ' ' PHE . 0.6 OUTLIER -135.87 94.53 3.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 3.5600000000000001 109.275 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 55.69 -91.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 3.6200000000000001 109.299 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 304' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 302' ' ' LYS . 0.0 OUTLIER -116.27 -18.51 10.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 6.21 110.308 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . 0.45 ' O ' ' N ' ' A' ' 302' ' ' LYS . 96.7 m-85 -100.07 148.31 24.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 4.0099999999999998 111.003 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 306' ' ' PHE . . . . . 0.53 ' C ' ' CD1' ' A' ' 306' ' ' PHE . 3.7 p90 -116.26 158.58 23.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 2.2999999999999998 110.981 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 307' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -110.54 162.9 14.25 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.979 -1.119 . . . . 5.4500000000000002 107.979 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . 0.432 ' CD2' ' CD2' ' A' ' 299' ' ' PHE . 0.2 OUTLIER -154.87 116.92 4.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 2.6699999999999999 109.294 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.25 89.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 3.6899999999999999 109.246 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . 0.442 HG11 ' CB ' ' A' ' 297' ' ' LYS . 4.2 p -160.54 167.27 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 2.9199999999999999 109.288 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 311' ' ' SER . . . . . 0.433 ' N ' ' CG2' ' A' ' 310' ' ' VAL . 28.6 t 64.31 -85.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.384 1.053 . . . . 4.2699999999999996 110.039 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -131.71 71.17 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 4.5999999999999996 110.31 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -139.68 106.11 6.98 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 4.9100000000000001 110.295 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -24.63 12.48 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.485 1.781 . . . . 3.2599999999999998 111.03 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.08 158.42 44.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 5.5300000000000002 109.265 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 7.8 p -93.98 167.3 11.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 1.95 110.461 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 74.3 m -140.98 126.0 18.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 2.52 109.959 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 98.4 t -93.94 106.46 18.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 3.4100000000000001 109.324 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 306' ' ' PHE . 1.4 m120 -121.84 166.87 13.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 2.1000000000000001 109.26 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.11 144.6 28.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 2.9700000000000002 109.315 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 321' ' ' ILE . . . . . 0.403 ' C ' ' N ' ' A' ' 323' ' ' SER . 33.0 mt -69.22 -66.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 2.0600000000000001 109.298 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 49.0 m -41.3 -28.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 2.6600000000000001 109.972 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 323' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 321' ' ' ILE . 0.6 OUTLIER -48.71 -39.36 24.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 3.0800000000000001 110.031 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.08 -74.0 0.67 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 2.8300000000000001 109.281 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 325' ' ' TRP . . . . . 0.402 ' HB3' ' CB ' ' A' ' 328' ' ' LEU . 0.0 OUTLIER -56.86 112.19 4.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 2.1000000000000001 108.029 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -83.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.599 1.842 . . . . 2.0499999999999998 111.061 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 327' ' ' THR . . . . . . . . . . . . . 2.9 m -70.12 61.67 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 4.1399999999999997 110.349 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . 0.479 ' CD1' ' HD2' ' A' ' 329' ' ' PRO . 0.3 OUTLIER -141.44 130.38 12.44 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 3.6499999999999999 109.284 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 329' ' ' PRO . . . . . 0.558 ' HG3' ' CZ3' ' A' ' 353' ' ' TRP . 18.4 Cg_endo -74.95 172.12 16.98 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.521 1.801 . . . . 2.02 111.077 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.02 150.2 32.3 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.543 1.152 . . . . 2.8500000000000001 110.054 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 85.5 42.48 6.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 1.49 110.97 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.556 HD12 ' CD2' ' A' ' 301' ' ' PHE . 10.6 mt -49.83 137.57 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.489 0.758 . . . . 2.6000000000000001 109.295 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.14 -52.1 5.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 3.71 110.365 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -143.76 129.02 18.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 1.53 109.314 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -117.31 126.11 52.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 1.8600000000000001 109.277 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 336' ' ' TYR . . . . . 0.517 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 10.5 p90 -151.75 126.54 9.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 4.4199999999999999 110.979 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -89.37 175.16 7.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 5.1399999999999997 110.293 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -133.15 96.31 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 4.0199999999999996 109.284 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -70.75 75.83 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.588 1.18 . . . . 3.7400000000000002 110.29 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -155.58 -58.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 2.6499999999999999 109.313 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -109.24 8.02 25.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 6.4699999999999998 110.324 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 47.0 t30 59.4 66.35 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 2.3999999999999999 109.253 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . 0.419 ' CG ' ' O ' ' A' ' 355' ' ' ILE . 0.0 OUTLIER -128.81 179.73 5.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 3.0499999999999998 110.253 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 344' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' A' ' 355' ' ' ILE . 3.2 t -149.71 150.71 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 2.54 109.316 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 345' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -134.21 133.32 40.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 3.79 111.011 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -123.72 119.86 31.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 2.46 109.277 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -96.1 140.17 31.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 3.7000000000000002 110.97 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 348' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.82 119.32 2.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 3.7000000000000002 109.304 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 4.7 t0 57.23 -150.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 3.4399999999999999 109.36 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 350' ' ' ASP . . . . . 0.482 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 2.0 t0 -87.91 42.17 1.04 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 3.2200000000000002 109.294 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.482 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 34.8 mtmt -155.99 154.79 31.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 2.3300000000000001 109.253 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 352' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 366' ' ' LYS . 39.9 p90 -142.12 147.13 36.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 4.0300000000000002 110.995 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 353' ' ' TRP . . . . . 0.558 ' CZ3' ' HG3' ' A' ' 329' ' ' PRO . 3.3 m-90 -104.63 163.39 12.52 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.001 -1.111 . . . . 5.1500000000000004 108.001 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 354' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.68 103.96 8.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 3.6499999999999999 109.298 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . 0.539 ' N ' ' CD1' ' A' ' 355' ' ' ILE . 1.2 mp -72.88 122.86 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 2.54 109.28 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 42.2 t -132.62 118.76 19.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 2.0899999999999999 110.054 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 60.06 47.59 9.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.531 1.144 . . . . 4.2599999999999998 109.258 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 56.59 43.24 25.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 5.5800000000000001 109.317 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -162.73 120.19 1.28 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 6.6399999999999997 110.324 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 360' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 361' ' ' GLU . 18.3 Cg_endo -74.94 117.8 5.05 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.553 1.818 . . . . 1.99 111.031 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 361' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 360' ' ' PRO . 5.0 mm-40 -36.41 124.74 0.74 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 2.8500000000000001 110.298 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 136.5 20.59 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.57 1.826 . . . . 3.1600000000000001 111.0 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 363' ' ' ASN . . . . . 0.439 ' C ' ' HD3' ' A' ' 365' ' ' PRO . 3.1 t-20 63.45 61.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 3.6099999999999999 109.242 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 364' ' ' TYR . . . . . 0.525 ' N ' ' HD3' ' A' ' 365' ' ' PRO . 0.2 OUTLIER -132.34 57.9 32.71 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 3.73 111.049 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . 0.525 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.4 Cg_endo -74.94 53.06 3.2 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.599 1.841 . . . . 1.4199999999999999 110.986 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 366' ' ' LYS . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 352' ' ' TYR . 0.0 OUTLIER -65.83 160.85 22.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 4.1699999999999999 109.333 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 29.3 t -135.5 130.92 35.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 3.25 110.0 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 370' ' ' SER . 3.2 pt -41.87 -42.82 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 2.6299999999999999 109.245 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 369' ' ' HIS . . . . . 0.4 ' C ' ' N ' ' A' ' 371' ' ' PHE . 23.7 t60 -40.25 -29.82 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 4.9500000000000002 109.608 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 370' ' ' SER . . . . . 0.56 ' O ' ' CG ' ' A' ' 371' ' ' PHE . 50.6 m -47.85 -23.36 0.73 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.443 1.09 . . . . 3.3700000000000001 109.995 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 371' ' ' PHE . . . . . 0.56 ' CG ' ' O ' ' A' ' 370' ' ' SER . 0.3 OUTLIER 164.68 71.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 8.0899999999999999 110.979 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 372' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 374' ' ' PRO . . . -174.35 -66.26 0.05 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.533 1.146 . . . . 3.1499999999999999 110.977 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 373' ' ' PHE . . . . . 0.571 ' CZ ' ' HA ' ' A' ' 376' ' ' PHE . 59.8 t80 -34.23 96.3 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.423 0.72 . . . . 6.8899999999999997 111.03 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 374' ' ' PRO . . . . . 0.545 ' HG2' ' CH2' ' A' ' 401' ' ' TRP . 18.2 Cg_endo -75.06 -76.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.506 1.793 . . . . 2.29 110.964 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -96.8 -78.8 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 5.6500000000000004 109.278 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 376' ' ' PHE . . . . . 0.571 ' HA ' ' CZ ' ' A' ' 373' ' ' PHE . 14.2 m-85 -144.7 58.33 1.31 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 7.79 110.996 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 377' ' ' VAL . . . . . 0.46 HG22 ' CZ3' ' A' ' 401' ' ' TRP . 0.8 OUTLIER -88.96 162.28 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 3.2400000000000002 109.298 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.75 -38.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.601 1.188 . . . . 4.3899999999999997 109.325 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -118.08 116.01 26.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 3.29 109.26 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . 0.443 ' CG2' ' N ' ' A' ' 381' ' ' ASP . 83.0 mt -101.76 163.01 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 2.7599999999999998 109.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 381' ' ' ASP . . . . . 0.728 ' O ' 'CA ' ' A' ' 471' ' ' ' CA' . 0.7 OUTLIER -92.45 -51.81 4.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 1.8600000000000001 109.254 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -159.85 168.09 26.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.62 1.2 . . . . 1.5600000000000001 109.263 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -156.92 130.32 8.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 1.8899999999999999 109.295 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 4.0 p -136.29 158.89 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 3.27 109.31 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 385' ' ' PHE . . . . . 0.457 ' C ' ' CD1' ' A' ' 385' ' ' PHE . 2.1 t80 -118.67 127.92 54.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 2.6499999999999999 110.968 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 386' ' ' ASN . . . . . 0.44 ' HB3' ' CB ' ' A' ' 389' ' ' PHE . 0.2 OUTLIER -91.63 122.63 65.39 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 2.98 109.269 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -30.21 7.39 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.503 1.791 . . . . 1.6599999999999999 111.018 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 1.8 tpt85 -91.7 28.36 1.79 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 3.6600000000000001 110.28 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 389' ' ' PHE . . . . . 0.557 ' C ' ' CG ' ' A' ' 390' ' ' TYR . 0.8 OUTLIER -151.3 -38.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 4.7199999999999998 111.026 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 390' ' ' TYR . . . . . 0.557 ' CG ' ' C ' ' A' ' 389' ' ' PHE . 4.4 m-85 74.08 31.93 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 3.6600000000000001 110.972 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 391' ' ' ARG . . . . . 0.41 ' HD2' ' CD ' ' A' ' 402' ' ' ARG . 18.1 mtt180 -136.88 146.75 45.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 3.8199999999999998 110.327 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 27.1 m -117.99 126.7 52.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 1.74 110.397 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . 0.458 ' C ' ' CD1' ' A' ' 394' ' ' PHE . 1.0 OUTLIER -119.96 157.14 29.43 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.533 1.145 . . . . 3.7999999999999998 110.963 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 394' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 393' ' ' TYR . 1.0 OUTLIER -134.19 170.01 16.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 3.6499999999999999 111.01 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -120.01 129.71 54.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 2.6200000000000001 111.03 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 396' ' ' VAL . . . . . 0.418 ' O ' ' CB ' ' A' ' 397' ' ' ASP . 10.2 t -114.62 74.2 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 2.98 109.318 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 397' ' ' ASP . . . . . 0.418 ' CB ' ' O ' ' A' ' 396' ' ' VAL . 0.8 OUTLIER 75.96 -65.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 4.9900000000000002 109.289 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -151.43 50.78 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 4.4199999999999999 109.331 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -140.5 148.47 41.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 2.75 110.339 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 400' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 400' ' ' TYR . 1.1 t80 -119.3 101.36 7.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 3.8399999999999999 111.014 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' TRP . . . . . 0.545 ' CH2' ' HG2' ' A' ' 374' ' ' PRO . 46.8 m0 -98.64 164.67 12.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 5.7800000000000002 108.025 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 402' ' ' ARG . . . . . 0.41 ' CD ' ' HD2' ' A' ' 391' ' ' ARG . 0.0 OUTLIER -153.59 111.83 3.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 3.9399999999999999 110.253 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 403' ' ' TYR . . . . . 0.479 ' CD2' ' HB3' ' A' ' 410' ' ' MET . 4.4 t80 -100.19 121.28 41.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 5.7300000000000004 110.977 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.78 124.97 24.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 2.1400000000000001 109.304 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -89.24 -47.42 8.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 3.0800000000000001 110.334 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -55.0 35.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 6.8700000000000001 110.264 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 407' ' ' ARG . . . . . 0.451 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.0 OUTLIER -67.7 -41.92 82.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 3.5299999999999998 110.26 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . 0.451 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 0.0 OUTLIER 83.09 29.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 3.2000000000000002 110.297 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 3.1 tpt -135.95 109.03 7.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 2.8799999999999999 111.034 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 410' ' ' MET . . . . . 0.479 ' HB3' ' CD2' ' A' ' 403' ' ' TYR . 0.0 OUTLIER -64.21 146.04 54.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 2.7000000000000002 111.012 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.64 160.55 72.21 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 2.5800000000000001 109.28 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 85.62 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.544 1.812 . . . . 3.2999999999999998 110.923 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 72.47 -73.13 0.95 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.448 1.092 . . . . 4.8399999999999999 111.049 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 414' ' ' TYR . . . . . 0.532 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 2.7 t80 61.16 63.45 2.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 2.3500000000000001 110.994 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 415' ' ' PRO . . . . . 0.409 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.5 Cg_endo -74.94 66.84 5.96 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.529 1.805 . . . . 1.8200000000000001 111.067 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . 0.532 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 24.9 mmtt -86.22 -176.35 5.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 2.9399999999999999 109.309 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.76 136.23 52.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 3.98 109.266 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 420' ' ' LYS . 3.8 mt -69.49 -71.35 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 2.4399999999999999 109.294 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 419' ' ' THR . . . . . 0.422 ' HB ' ' N ' ' A' ' 427' ' ' PRO . 15.0 t -38.07 -29.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.9099999999999999 110.395 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 418' ' ' ILE . 26.1 mttt -69.22 -69.47 0.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 2.4700000000000002 109.263 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -48.29 -51.0 27.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 3.02 109.239 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 422' ' ' PHE . . . . . 0.486 ' CE2' ' CD1' ' A' ' 451' ' ' TYR . 2.6 m-85 -119.16 102.54 8.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.45 1.094 . . . . 4.5999999999999996 110.982 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -89.92 112.92 24.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 2.73 110.34 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 150.49 -31.06 1.04 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.574 1.172 . . . . 1.3899999999999999 110.958 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 425' ' ' ILE . . . . . 0.436 ' CG1' ' N ' ' A' ' 426' ' ' GLY . 8.4 pt -82.64 -55.57 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 2.96 109.241 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 426' ' ' GLY . . . . . 0.436 ' N ' ' CG1' ' A' ' 425' ' ' ILE . . . 132.37 167.46 11.8 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.548 1.155 . . . . 1.1299999999999999 111.0 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . 0.422 ' N ' ' HB ' ' A' ' 419' ' ' THR . 18.2 Cg_endo -74.98 -16.65 20.14 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.454 1.765 . . . . 1.3799999999999999 110.977 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.53 131.15 53.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 5.8899999999999997 109.286 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 1.9 mp -130.86 125.39 58.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 3.96 109.307 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.65 -86.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 2.0600000000000001 109.297 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -106.97 150.64 26.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 1.6899999999999999 109.333 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.672 ' CG2' ' CE1' ' A' ' 442' ' ' PHE . 4.1 p -146.99 126.33 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 2.9500000000000002 109.357 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' PHE . . . . . 0.461 ' N ' ' CD1' ' A' ' 433' ' ' PHE . 5.8 p90 -147.71 146.53 29.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 4.8300000000000001 110.971 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.27 92.01 7.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 4.7400000000000002 110.966 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 94.2 p -123.19 91.3 3.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 3.0600000000000001 110.009 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' LYS . . . . . 0.408 ' CB ' ' HB2' ' A' ' 439' ' ' TYR . 0.0 OUTLIER 174.62 -160.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 4.7400000000000002 109.363 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -103.95 -30.88 10.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 4.71 109.243 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.21 49.3 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 4.0300000000000002 109.346 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' TYR . . . . . 0.476 ' CD1' ' OE2' ' A' ' 450' ' ' GLU . 68.7 m-85 -138.74 173.88 11.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 3.8799999999999999 110.971 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -134.77 112.87 11.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 4.5700000000000003 111.013 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -84.89 110.99 19.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 4.1399999999999997 111.014 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . 0.672 ' CE1' ' CG2' ' A' ' 432' ' ' VAL . 5.9 m-85 -121.33 146.92 46.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.608 1.193 . . . . 4.1600000000000001 111.009 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' PHE . . . . . 0.584 ' C ' ' CD1' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -153.61 147.91 25.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 6.1500000000000004 111.01 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -158.93 102.62 1.66 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.475 1.109 . . . . 4.46 110.265 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 109.12 -91.56 0.66 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.159 . . . . 1.8 110.939 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 17.7 t -151.57 33.08 0.56 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 0.783 . . . . 2.6400000000000001 110.019 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -137.02 134.59 36.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 2.1699999999999999 109.297 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.91 88.12 2.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 3.4199999999999999 110.295 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -87.87 143.62 27.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 3.2799999999999998 111.005 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . 0.48 ' O ' ' CG2' ' A' ' 458' ' ' ILE . 1.7 tt0 -121.31 134.17 55.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.374 1.046 . . . . 2.8999999999999999 110.306 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' TYR . . . . . 0.486 ' CD1' ' CE2' ' A' ' 422' ' ' PHE . 1.5 t80 -105.69 143.75 33.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.581 1.175 . . . . 3.9500000000000002 111.015 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -125.75 111.27 14.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 2.8300000000000001 109.303 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . 0.409 ' O ' ' CD1' ' A' ' 453' ' ' PHE . 19.3 t80 -59.59 -15.69 20.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.411 1.069 . . . . 4.4900000000000002 110.989 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 20.1 tp -42.57 -42.09 3.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 3.27 109.225 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -163.51 29.97 0.09 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 2.7799999999999998 109.357 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 47.77 57.02 6.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 3.6899999999999999 110.322 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.62 135.44 44.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.564 1.165 . . . . 4.9400000000000004 110.273 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' ILE . . . . . 0.48 ' CG2' ' O ' ' A' ' 450' ' ' GLU . 24.1 mt -100.13 114.38 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 2.52 109.317 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 10.2 t -115.65 38.25 3.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 3.46 110.436 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -152.59 109.67 3.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.404 1.065 . . . . 4.7599999999999998 109.353 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 24.2 m -126.04 85.61 2.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 3.3500000000000001 110.396 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' LEU . . . . . 0.416 ' CD1' ' HB3' ' A' ' 466' ' ' SER . 0.9 OUTLIER -125.91 178.12 5.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 2.71 109.333 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.0 173.78 6.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 4.8799999999999999 109.322 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -32.19 73.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.9199999999999999 110.024 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -104.07 57.42 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 2.8799999999999999 109.304 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 466' ' ' SER . . . . . 0.416 ' HB3' ' CD1' ' A' ' 462' ' ' LEU . 0.1 OUTLIER -116.55 -9.77 11.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.105 . . . . 3.8900000000000001 110.001 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 17.2 m95 -103.31 -44.86 5.05 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.495 1.122 . . . . 4.9199999999999999 108.04 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 468' ' ' PHE . . . . . 0.56 ' CE2' HD13 ' A' ' 281' ' ' LEU . 3.0 t80 -48.82 -47.35 42.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 8.3300000000000001 111.015 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 120.95 55.53 0.23 Allowed Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.458 1.099 . . . . 2.6800000000000002 111.064 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 470' ' ' CYS . . . . . 1.283 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 N-CA-C 108.332 -0.988 . . . . 3.8399999999999999 108.332 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 471' ' ' ' CA' . . . . . 0.728 'CA ' ' O ' ' A' ' 381' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 277' ' ' MET . . . . . . . . . . . . . 10.6 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.51 0.195 . . . . 8.9900000000000002 111.012 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . 0.424 ' N ' ' HD3' ' A' ' 279' ' ' PRO . 31.9 mt-10 53.16 63.32 8.55 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 6.71 110.248 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 279' ' ' PRO . . . . . 0.425 ' CB ' HD23 ' A' ' 286' ' ' LEU . 18.5 Cg_endo -74.99 128.68 11.69 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.496 1.787 . . . . 3.0600000000000001 111.013 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 280' ' ' ALA . . . . . . . . . . . . . . . -48.28 96.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 4.0800000000000001 109.295 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 281' ' ' LEU . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 468' ' ' PHE . 70.2 mt -63.45 -46.99 83.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 3.8199999999999998 109.299 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 282' ' ' CYS . . . . . 1.288 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 3.1 t -79.46 57.64 2.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 3.6499999999999999 108.289 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 283' ' ' ASP . . . . . 0.404 ' HB3' ' ND2' ' A' ' 285' ' ' ASN . 9.0 t0 -176.21 109.33 0.25 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 3.4700000000000002 109.33 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 78.09 2.98 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.482 1.78 . . . . 2.3399999999999999 111.015 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 285' ' ' ASN . . . . . 0.404 ' ND2' ' HB3' ' A' ' 283' ' ' ASP . 1.2 p30 -146.21 36.21 1.01 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 3.1600000000000001 109.25 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 286' ' ' LEU . . . . . 0.571 HD21 ' CZ2' ' A' ' 307' ' ' TRP . 0.2 OUTLIER -113.51 175.03 5.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 4.5499999999999998 109.315 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 61.8 p -144.62 169.31 18.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 1.95 109.984 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -129.17 152.47 48.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 2.7799999999999998 110.981 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.35 -52.55 4.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 2.5099999999999998 109.283 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . 0.414 ' HA ' ' CB ' ' A' ' 431' ' ' ALA . . . -157.43 157.6 34.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 2.4700000000000002 109.323 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 291' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 292' ' ' THR . 93.3 t -136.95 143.64 34.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 3.3700000000000001 109.329 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 292' ' ' THR . . . . . 0.4 ' N ' HG12 ' A' ' 291' ' ' VAL . 12.0 t -145.11 154.32 42.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 2.1400000000000001 110.405 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 4.7 t -111.0 146.74 36.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 3.2200000000000002 110.42 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 90.9 t -139.41 72.41 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 2.8999999999999999 109.302 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 98.0 -112.14 4.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 1.73 110.972 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -113.68 15.43 18.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.757 . . . . 3.1899999999999999 109.279 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -121.57 152.54 39.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 4.4900000000000002 109.298 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 10.6 pt -129.83 125.59 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 2.71 109.287 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 299' ' ' PHE . . . . . 0.461 ' CG ' HD23 ' A' ' 308' ' ' LEU . 7.0 m-85 -106.47 148.75 27.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 4.2999999999999998 111.026 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 300' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -125.86 97.03 4.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 4.1799999999999997 111.028 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 301' ' ' PHE . . . . . 0.56 ' CE1' HG12 ' A' ' 321' ' ' ILE . 24.3 m-85 -84.18 156.6 21.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 4.2699999999999996 111.035 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 302' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 305' ' ' PHE . 0.0 OUTLIER -161.6 70.33 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 4.3700000000000001 109.264 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 3.5 t70 49.14 83.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 3.5899999999999999 109.297 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 304' ' ' ARG . . . . . 0.424 ' HB3' ' CD1' ' A' ' 320' ' ' LEU . 2.8 mmt85 76.06 -54.23 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 7.4800000000000004 110.317 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 302' ' ' LYS . 38.2 m-85 -79.94 120.33 24.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 5.8600000000000003 110.989 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 306' ' ' PHE . . . . . 0.534 ' CZ ' ' HB2' ' A' ' 319' ' ' ASN . 5.4 p90 -133.94 144.84 49.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 2.3900000000000001 110.986 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 307' ' ' TRP . . . . . 0.571 ' CZ2' HD21 ' A' ' 286' ' ' LEU . 16.9 m-90 -101.21 157.42 16.79 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.005 -1.109 . . . . 5.6900000000000004 108.005 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . 0.461 HD23 ' CG ' ' A' ' 299' ' ' PHE . 0.3 OUTLIER -141.51 129.37 21.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 3.3599999999999999 109.248 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -165.01 98.26 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 2.8700000000000001 109.254 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . . . . . . . . . 8.2 p -173.31 167.59 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 2.9700000000000002 109.332 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 33.0 t 67.2 -75.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 4.9100000000000001 109.975 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -165.52 77.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 5.4900000000000002 110.319 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.94 134.33 21.8 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 4.25 110.327 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -35.87 2.92 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.461 1.769 . . . . 3.4399999999999999 111.011 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.23 167.54 28.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 4.25 109.305 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 15.5 p -87.31 134.38 33.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 2.4100000000000001 110.365 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 2.3 m -126.7 146.94 50.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 4.0199999999999996 109.983 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 10.4 m -100.94 119.9 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 4.0999999999999996 109.311 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 306' ' ' PHE . 1.8 m120 -132.86 179.79 5.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 2.1699999999999999 109.327 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . 0.424 ' CD1' ' HB3' ' A' ' 304' ' ' ARG . 12.1 tp -106.37 132.71 52.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 3.9100000000000001 109.296 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 321' ' ' ILE . . . . . 0.56 HG12 ' CE1' ' A' ' 301' ' ' PHE . 3.6 mt -62.53 -63.31 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 3.3100000000000001 109.296 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 322' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 321' ' ' ILE . 3.3 t -37.61 -33.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 3.0499999999999998 110.045 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 323' ' ' SER . . . . . 0.413 ' N ' ' C ' ' A' ' 321' ' ' ILE . 8.4 t -43.74 -27.46 0.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 2.75 109.995 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 2.8 mp -115.12 -63.21 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 2.77 109.283 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 325' ' ' TRP . . . . . 0.475 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 0.5 OUTLIER -65.36 144.21 98.93 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 2.5499999999999998 107.999 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -90.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.481 1.779 . . . . 1.6599999999999999 110.975 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 327' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 327' ' ' THR . 12.0 t -85.02 86.56 7.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 3.3700000000000001 110.441 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . 0.475 ' CD2' ' HB3' ' A' ' 325' ' ' TRP . 4.2 mm? -134.8 155.91 78.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 2.46 109.272 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 329' ' ' PRO . . . . . 0.417 ' O ' ' CB ' ' A' ' 330' ' ' SER . 18.4 Cg_endo -74.99 -36.17 2.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.553 1.817 . . . . 2.5600000000000001 111.03 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 330' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 329' ' ' PRO . 3.2 m 80.76 -0.05 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 5.0300000000000002 109.973 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -116.12 -42.57 0.7 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.546 1.154 . . . . 3.9199999999999999 110.988 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.456 ' CG2' ' HB3' ' A' ' 335' ' ' ALA . 4.1 mp 42.43 89.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 3.1400000000000001 109.258 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -79.52 -13.89 59.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 3.0099999999999998 110.326 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -168.97 115.84 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 1.5900000000000001 109.322 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . 0.456 ' HB3' ' CG2' ' A' ' 332' ' ' ILE . . . -129.96 155.59 45.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 2.46 109.336 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 336' ' ' TYR . . . . . 0.629 ' CE1' ' CB ' ' A' ' 345' ' ' PHE . 22.5 p90 -155.34 114.81 3.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 3.8799999999999999 110.991 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -98.02 142.77 29.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 3.98 110.276 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . 0.467 HD11 ' CD2' ' A' ' 336' ' ' TYR . 1.4 mp -128.29 130.08 69.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 4.9400000000000004 109.318 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.57 -54.8 14.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 3.5800000000000001 110.26 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -49.5 -58.79 4.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 3.4900000000000002 109.323 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -59.37 -32.81 70.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 4.7699999999999996 110.281 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 342' ' ' ASN . . . . . 0.408 ' C ' ' HG2' ' A' ' 343' ' ' GLN . 9.2 t30 59.8 35.15 22.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 3.3599999999999999 109.321 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . 0.408 ' HG2' ' C ' ' A' ' 342' ' ' ASN . 0.1 OUTLIER -134.97 139.92 45.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 3.1899999999999999 110.338 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 344' ' ' VAL . . . . . . . . . . . . . 10.6 t -100.65 139.56 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 2.9300000000000002 109.316 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 345' ' ' PHE . . . . . 0.629 ' CB ' ' CE1' ' A' ' 336' ' ' TYR . 84.3 m-85 -121.44 130.14 53.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 5.0099999999999998 110.988 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . 0.429 ' CD2' ' N ' ' A' ' 346' ' ' LEU . 1.5 mm? -128.45 105.96 8.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 3.0800000000000001 109.351 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 347' ' ' PHE . . . . . 0.405 ' CE2' ' HE1' ' A' ' 336' ' ' TYR . 17.1 m-85 -99.43 158.44 15.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 4.4100000000000001 110.989 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 348' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -178.53 143.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 4.79 109.264 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 51.25 -154.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 4.9699999999999998 109.295 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 350' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -91.62 41.84 1.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 3.8900000000000001 109.322 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -148.67 148.2 29.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 2.98 109.308 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 352' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -110.52 164.0 13.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 7.0199999999999996 110.986 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -155.97 125.75 6.42 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.042 -1.096 . . . . 7.7699999999999996 108.042 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 354' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -113.57 165.95 12.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 2.8999999999999999 109.336 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 1.5 mp -129.52 118.8 46.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 3.25 109.316 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 16.6 t -124.63 132.25 53.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 2.98 109.975 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 357' ' ' ASN . . . . . 0.451 ' O ' ' CD2' ' A' ' 358' ' ' LEU . 43.6 m-20 58.79 48.09 11.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 4.9299999999999997 109.309 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . 0.451 ' CD2' ' O ' ' A' ' 357' ' ' ASN . 0.6 OUTLIER 50.91 40.19 24.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 5.1100000000000003 109.315 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -164.53 128.75 1.83 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 5.2000000000000002 110.287 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 360' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 169.79 21.83 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.509 1.794 . . . . 1.96 111.003 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.53 167.07 33.45 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 3.04 110.342 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -39.31 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.512 1.796 . . . . 3.2400000000000002 110.972 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 363' ' ' ASN . . . . . 0.422 ' C ' ' HD3' ' A' ' 365' ' ' PRO . 6.2 m-20 -159.19 112.72 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 3.8399999999999999 109.285 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 364' ' ' TYR . . . . . 0.532 ' CD2' ' HD3' ' A' ' 366' ' ' LYS . 0.3 OUTLIER -132.95 58.16 33.44 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 4.4699999999999998 111.008 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . 0.512 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.4 Cg_endo -75.01 62.94 5.96 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.48 1.779 . . . . 1.3200000000000001 110.977 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 366' ' ' LYS . . . . . 0.532 ' HD3' ' CD2' ' A' ' 364' ' ' TYR . 0.1 OUTLIER -65.72 163.1 17.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 3.1099999999999999 109.316 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.92 127.25 52.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 2.5299999999999998 109.973 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . 0.439 ' CD1' HG13 ' A' ' 377' ' ' VAL . 13.7 pt -65.09 -38.34 82.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 4.8499999999999996 109.282 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -63.86 -34.22 77.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 5.3399999999999999 109.604 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 1.5 m -70.05 -8.9 53.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 3.9100000000000001 110.008 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.97 2.57 53.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 7.6100000000000003 111.01 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . 129.14 -26.58 4.41 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.486 1.116 . . . . 4.6399999999999997 111.006 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 373' ' ' PHE . . . . . . . . . . . . . 27.9 t80 52.1 92.71 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.509 0.77 . . . . 6.2599999999999998 110.99 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 374' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -162.76 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.789 . . . . 3.3799999999999999 111.053 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -42.38 -57.92 2.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 6.8499999999999996 109.308 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -161.64 102.83 1.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 7.1399999999999997 110.94 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 377' ' ' VAL . . . . . 0.439 HG13 ' CD1' ' A' ' 368' ' ' ILE . 9.1 p -108.84 152.41 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 3.9100000000000001 109.33 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.86 -37.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 4.9800000000000004 109.292 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.74 132.99 26.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 2.6600000000000001 109.256 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 5.0 mt -98.84 146.49 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 2.2000000000000002 109.302 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.53 -51.08 9.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 2.0699999999999998 109.286 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 382' ' ' ALA . . . . . 0.449 ' CB ' HG11 ' A' ' 432' ' ' VAL . . . -164.37 176.72 8.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 2.0299999999999998 109.267 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -164.17 130.54 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 1.8100000000000001 109.305 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 9.7 p -141.17 159.45 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 3.2200000000000002 109.325 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 385' ' ' PHE . . . . . 0.415 ' CG ' ' N ' ' A' ' 386' ' ' ASN . 81.6 t80 -100.28 165.48 11.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 2.48 110.973 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 386' ' ' ASN . . . . . 0.415 ' N ' ' CG ' ' A' ' 385' ' ' PHE . 9.6 t-20 -141.01 105.67 6.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 3.0699999999999998 109.304 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -13.63 21.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.514 1.797 . . . . 1.78 110.971 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.33 -48.39 28.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 2.4700000000000002 110.34 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.89 6.26 27.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 5.1900000000000004 111.016 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 51.73 34.79 13.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 3.0800000000000001 110.999 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -124.22 161.36 25.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 3.71 110.274 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 15.1 m -116.46 130.81 56.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 1.8 110.43 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 20.0 m-30 -85.82 142.89 28.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 3.7200000000000002 111.002 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.2 115.39 11.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 4.5899999999999999 110.992 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . 0.573 ' CD2' HG23 ' A' ' 429' ' ' ILE . 47.4 m-85 -94.59 120.13 34.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 1.8 111.02 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.24 124.74 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 3.8599999999999999 109.274 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 51.69 -154.94 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 3.8700000000000001 109.326 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -84.72 49.91 1.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 3.2799999999999998 109.31 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.21 169.38 19.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 2.8900000000000001 110.317 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -126.57 120.31 29.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 4.3499999999999996 111.0 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 3.9 m95 -115.2 163.42 15.68 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.98 -1.119 . . . . 6.79 107.98 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -152.1 118.34 5.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 3.5600000000000001 110.317 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -95.83 163.29 13.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 5.2400000000000002 110.998 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.4 123.87 48.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 2.9700000000000002 109.29 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -83.04 -50.81 8.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 3.0099999999999998 110.275 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -66.44 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 7.5 110.31 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -39.43 69.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 3.9500000000000002 110.337 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.52 36.45 0.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 2.9900000000000002 110.312 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.71 118.75 13.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 3.7599999999999998 111.008 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -59.88 125.15 22.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 4.2199999999999998 111.004 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.58 137.78 5.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 2.98 109.306 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 412' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 413' ' ' GLY . 18.3 Cg_endo -75.01 105.83 2.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.457 1.767 . . . . 2.9700000000000002 111.023 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 413' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 412' ' ' PRO . . . 50.59 103.4 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.528 1.143 . . . . 2.0699999999999998 111.016 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 414' ' ' TYR . . . . . 0.533 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 3.9 t80 -132.51 63.61 68.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.774 . . . . 3.1099999999999999 110.996 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 415' ' ' PRO . . . . . 0.401 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.5 Cg_endo -74.96 69.95 5.39 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.515 1.798 . . . . 1.7 111.003 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . 0.533 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 5.1 mmtt -89.23 -172.53 3.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 3.5499999999999998 109.309 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.1 mt -134.39 133.16 40.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 3.5600000000000001 109.307 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 2.5 mt -60.73 -66.97 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 2.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 419' ' ' THR . . . . . 0.411 ' HB ' ' N ' ' A' ' 427' ' ' PRO . 13.2 t -42.81 -36.09 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 2.1400000000000001 110.413 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 15.1 mttp -66.19 -65.99 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 3.0600000000000001 109.301 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . 0.588 ' O ' ' CD1' ' A' ' 422' ' ' PHE . 0.7 OUTLIER -47.61 -30.87 3.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 3.2799999999999998 109.26 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 422' ' ' PHE . . . . . 0.588 ' CD1' ' O ' ' A' ' 421' ' ' ASN . 28.1 m-85 -152.8 118.24 5.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 3.6699999999999999 111.03 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -94.07 100.36 12.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 2.9100000000000001 110.289 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 161.71 -33.69 0.36 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 1.77 111.006 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 425' ' ' ILE . . . . . 0.506 ' CD1' ' O ' ' A' ' 422' ' ' PHE . 0.2 OUTLIER -86.41 -19.51 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 3.27 109.27 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 89.49 174.52 46.02 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.485 1.115 . . . . 0.95999999999999996 111.006 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . 0.411 ' N ' ' HB ' ' A' ' 419' ' ' THR . 18.4 Cg_endo -74.99 -9.9 21.0 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.472 1.775 . . . . 1.3700000000000001 111.006 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -125.05 134.77 52.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 2.8399999999999999 109.323 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 429' ' ' ILE . . . . . 0.573 HG23 ' CD2' ' A' ' 395' ' ' PHE . 9.4 tp -125.13 152.02 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 2.6000000000000001 109.276 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 443' ' ' PHE . 2.8 t0 -105.14 -60.02 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 2.21 109.305 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . 0.414 ' CB ' ' HA ' ' A' ' 290' ' ' ALA . . . -141.15 153.53 45.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 1.9199999999999999 109.311 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.5 HG13 ' CE1' ' A' ' 395' ' ' PHE . 1.2 p -158.01 138.02 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 2.7999999999999998 109.259 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' PHE . . . . . 0.419 ' N ' ' CD1' ' A' ' 433' ' ' PHE . 3.8 p90 -147.57 167.71 23.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 4.2599999999999998 111.025 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' TYR . . . . . 0.472 ' CD1' ' O ' ' A' ' 439' ' ' TYR . 25.7 t80 -129.31 84.27 2.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 4.9100000000000001 111.0 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.24 -5.38 15.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 2.4100000000000001 109.989 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' LYS . . . . . 0.484 ' HG3' ' CE1' ' A' ' 441' ' ' TYR . 17.3 mmmt -74.05 -167.32 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 4.3300000000000001 109.346 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -97.34 -36.51 10.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 4.4699999999999998 109.29 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -159.98 46.48 0.25 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 5.1299999999999999 109.345 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' TYR . . . . . 0.539 ' CD1' ' OE2' ' A' ' 450' ' ' GLU . 87.8 m-85 -146.9 160.52 42.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 3.3300000000000001 110.964 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -126.97 116.02 20.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 4.2300000000000004 111.008 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' TYR . . . . . 0.513 ' CE1' ' HG3' ' A' ' 450' ' ' GLU . 3.3 m-85 -90.49 158.58 16.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 3.5699999999999998 111.03 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . 0.41 ' CD2' ' HB ' ' A' ' 432' ' ' VAL . 96.0 m-85 -146.44 143.68 29.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 4.7199999999999998 111.008 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' PHE . . . . . 0.644 ' CE2' ' NE2' ' A' ' 448' ' ' GLN . 0.2 OUTLIER -117.78 118.4 31.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 5.1500000000000004 110.978 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.87 105.01 4.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 7.54 110.307 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 83.13 -89.41 1.52 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 1.72 110.993 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.8 38.02 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 3.0 109.976 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' ASN . . . . . 0.521 ' OD1' ' CD2' ' A' ' 449' ' ' PHE . 16.6 p30 -143.65 133.94 24.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 3.77 109.311 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' GLN . . . . . 0.644 ' NE2' ' CE2' ' A' ' 443' ' ' PHE . 2.1 mt-30 -100.37 113.11 25.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 3.6299999999999999 110.311 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' PHE . . . . . 0.521 ' CD2' ' OD1' ' A' ' 447' ' ' ASN . 20.2 m-85 -104.41 133.33 49.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 3.6000000000000001 110.992 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . 0.539 ' OE2' ' CD1' ' A' ' 439' ' ' TYR . 2.4 tt0 -116.23 130.62 56.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 3.0099999999999998 110.305 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -100.41 113.2 25.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 5.9100000000000001 111.015 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.06 102.74 14.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 4.0899999999999999 109.305 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . 0.418 ' C ' ' N ' ' A' ' 455' ' ' LEU . 19.7 t80 -61.08 -15.2 30.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 4.7599999999999998 110.988 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 60.5 tp -43.58 -27.48 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 3.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.418 ' N ' ' C ' ' A' ' 453' ' ' PHE . 1.0 OUTLIER -175.37 35.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 3.1400000000000001 109.31 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . 0.404 ' OE1' ' C ' ' A' ' 455' ' ' LEU . 3.7 mp0 44.12 52.12 7.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 3.8300000000000001 110.318 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -125.89 121.32 32.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 4.2300000000000004 110.28 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 5.0 mt -95.2 113.87 30.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 3.8599999999999999 109.302 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 1.8 t -136.72 60.69 1.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 3.2400000000000002 110.381 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' LYS . . . . . 0.404 ' CB ' ' HB3' ' A' ' 450' ' ' GLU . 0.0 OUTLIER -160.13 112.24 2.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 4.0 109.265 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 11.3 p -133.68 81.74 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 2.6499999999999999 110.393 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' LEU . . . . . 0.517 ' CD2' ' CZ2' ' A' ' 467' ' ' TRP . 23.5 tp -88.23 158.01 18.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 3.8300000000000001 109.296 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 464' ' ' SER . 0.4 OUTLIER -93.98 134.52 36.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 4.2000000000000002 109.315 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 463' ' ' LYS . 4.8 t -37.95 -41.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.152 . . . . 1.9299999999999999 110.016 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 26.8 p30 -112.19 72.2 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 2.8999999999999999 109.33 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 466' ' ' SER . . . . . 0.515 ' CB ' ' CD1' ' A' ' 462' ' ' LEU . 67.5 p -109.85 -14.25 14.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 3.6800000000000002 110.051 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 467' ' ' TRP . . . . . 0.517 ' CZ2' ' CD2' ' A' ' 462' ' ' LEU . 3.5 m-90 -103.91 -53.03 2.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 8.7200000000000006 108.015 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 468' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 281' ' ' LEU . 9.0 t80 -39.98 -47.54 2.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 8.6799999999999997 110.994 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 119.15 54.96 0.27 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 2.8500000000000001 111.005 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 470' ' ' CYS . . . . . 1.288 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 N-CA-C 108.29 -1.004 . . . . 3.2999999999999998 108.29 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 471' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 277' ' ' MET . . . . . 0.453 ' SD ' ' CG1' ' A' ' 318' ' ' VAL . 2.4 mtt . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 120.459 0.171 . . . . 9.25 111.009 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.61 68.05 71.83 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.585 1.178 . . . . 8.9700000000000006 110.297 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -72.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.532 1.807 . . . . 4.5599999999999996 111.024 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 280' ' ' ALA . . . . . . . . . . . . . . . -135.84 -54.06 0.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 4.5899999999999999 109.28 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 281' ' ' LEU . . . . . . . . . . . . . 63.1 mt 44.58 30.01 0.47 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.473 1.108 . . . . 4.7000000000000002 109.321 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 282' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -177.8 40.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 3.1400000000000001 108.295 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -174.2 127.06 0.44 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.097 . . . . 3.4700000000000002 109.292 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 73.77 4.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.512 1.796 . . . . 2.5600000000000001 110.982 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -136.1 21.86 3.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 3.1499999999999999 109.278 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.44 157.59 16.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 3.5899999999999999 109.3 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 83.2 p -136.91 153.34 50.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 2.6600000000000001 110.014 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -117.07 164.29 14.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.093 . . . . 2.9399999999999999 110.98 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.5 -62.55 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 2.9900000000000002 109.264 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -152.19 145.91 25.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 2.3999999999999999 109.328 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 291' ' ' VAL . . . . . . . . . . . . . 55.5 t -128.48 145.85 34.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 3.5899999999999999 109.305 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 11.6 t -140.06 166.14 25.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 2.3799999999999999 110.404 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 293' ' ' THR . . . . . 0.449 ' CB ' ' HB2' ' A' ' 435' ' ' SER . 4.4 t -121.64 129.53 52.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 3.1699999999999999 110.411 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 3.5 t -149.82 97.11 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 3.4300000000000002 109.289 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 76.13 43.69 20.53 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 3.3700000000000001 110.968 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 296' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 296' ' ' ASN . 30.5 t30 61.95 25.73 15.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 0.767 . . . . 4.8499999999999996 109.286 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . 0.439 ' HA ' ' CG2' ' A' ' 310' ' ' VAL . 9.8 mtmt -112.45 131.83 55.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 3.98 109.301 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 3.3 pt -107.07 110.91 33.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 3.21 109.286 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 299' ' ' PHE . . . . . 0.573 ' HB3' ' CE1' ' A' ' 301' ' ' PHE . 48.5 m-85 -101.24 117.23 34.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 4.25 111.008 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 300' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -99.89 93.45 5.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 4.4699999999999998 110.994 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 301' ' ' PHE . . . . . 0.573 ' CE1' ' HB3' ' A' ' 299' ' ' PHE . 19.8 m-85 -83.86 161.52 20.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 4.5300000000000002 111.04 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 302' ' ' LYS . . . . . 0.469 ' O ' ' O ' ' A' ' 305' ' ' PHE . 0.0 OUTLIER -174.85 145.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 4.5700000000000003 109.303 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 303' ' ' ASP . . . . . 0.422 ' O ' ' HB2' ' A' ' 304' ' ' ARG . 0.5 OUTLIER -43.43 148.92 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 4.0300000000000002 109.261 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 304' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 303' ' ' ASP . 0.0 OUTLIER 71.89 -74.25 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 5.3899999999999997 110.27 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . 0.525 ' CE1' HD13 ' A' ' 320' ' ' LEU . 27.5 m-85 -135.08 169.81 16.86 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.462 1.101 . . . . 3.5299999999999998 110.95 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 306' ' ' PHE . . . . . 0.428 ' CD2' HG13 ' A' ' 321' ' ' ILE . 43.1 p90 -127.94 -179.01 4.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 2.23 110.936 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 307' ' ' TRP . . . . . . . . . . . . . 7.6 m-90 -128.87 150.54 50.3 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.939 -1.134 . . . . 5.4199999999999999 107.939 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . 0.424 HD22 ' CD2' ' A' ' 299' ' ' PHE . 0.2 OUTLIER -139.39 132.04 28.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 3.6400000000000001 109.302 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 309' ' ' LYS . . . . . 0.428 ' CD ' ' O ' ' A' ' 315' ' ' LYS . 15.4 tptt -156.63 90.18 1.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 2.9700000000000002 109.36 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . 0.439 ' CG2' ' HA ' ' A' ' 297' ' ' LYS . 8.7 p -175.34 176.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 3.1200000000000001 109.282 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 24.2 t 63.94 -98.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 5.3499999999999996 110.026 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -148.02 75.98 1.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.08 . . . . 4.7999999999999998 110.321 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 313' ' ' ARG . . . . . 0.405 ' NE ' ' H ' ' A' ' 313' ' ' ARG . 0.0 OUTLIER -111.31 157.19 39.72 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 11.27 110.356 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -53.27 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.777 . . . . 4.2800000000000002 110.977 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 315' ' ' LYS . . . . . 0.547 ' HG2' ' CE2' ' A' ' 468' ' ' PHE . 0.4 OUTLIER -140.57 -77.44 0.3 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 5.2000000000000002 109.266 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 316' ' ' THR . . . . . 0.481 ' CG2' ' O ' ' A' ' 315' ' ' LYS . 40.9 p -156.07 -179.31 8.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 2.1800000000000002 110.421 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.33 144.36 50.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 2.5 109.985 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 318' ' ' VAL . . . . . 0.453 ' CG1' ' SD ' ' A' ' 277' ' ' MET . 3.7 t -139.38 68.39 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.112 . . . . 3.0099999999999998 109.373 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -122.44 175.96 6.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.419 1.075 . . . . 2.8700000000000001 109.242 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . 0.525 HD13 ' CE1' ' A' ' 305' ' ' PHE . 0.5 OUTLIER -94.92 152.67 18.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 2.9500000000000002 109.314 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 321' ' ' ILE . . . . . 0.428 HG13 ' CD2' ' A' ' 306' ' ' PHE . 1.1 mp -65.27 -64.31 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 2.3700000000000001 109.329 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 322' ' ' SER . . . . . 0.443 ' HB2' ' CD2' ' A' ' 320' ' ' LEU . 69.7 m -43.67 -29.2 0.48 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 2.48 109.997 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 4.8 t -54.69 -40.5 69.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 2.0099999999999998 110.01 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.47 -83.09 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.085 . . . . 2.8500000000000001 109.34 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 1.5 m0 -50.15 152.28 3.04 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 107.964 -1.124 . . . . 2.0600000000000001 107.964 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -88.42 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.558 1.82 . . . . 1.1299999999999999 110.993 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 327' ' ' THR . . . . . 0.443 ' CG2' ' O ' ' A' ' 327' ' ' THR . 9.7 t -100.22 93.01 5.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 2.3500000000000001 110.394 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . 0.463 ' CD1' ' HD2' ' A' ' 329' ' ' PRO . 3.4 mm? -136.9 147.02 57.44 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 2.0099999999999998 109.344 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 329' ' ' PRO . . . . . 0.463 ' HD2' ' CD1' ' A' ' 328' ' ' LEU . 18.6 Cg_endo -74.87 157.66 43.18 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.515 1.798 . . . . 2.04 111.077 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.6 140.77 35.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 2.52 109.969 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . 0.422 ' CA ' ' HA ' ' A' ' 303' ' ' ASP . . . 72.27 57.46 5.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 1.45 110.944 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.412 ' CD1' ' HG2' ' A' ' 329' ' ' PRO . 50.1 mm -58.27 140.29 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 0.742 . . . . 3.2599999999999998 109.293 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -89.51 -51.67 5.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 3.4900000000000002 110.29 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 334' ' ' ALA . . . . . 0.537 ' HB2' ' CD2' ' A' ' 347' ' ' PHE . . . -129.82 164.4 24.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 1.98 109.289 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -154.81 133.66 12.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 1.96 109.298 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 336' ' ' TYR . . . . . 0.593 ' C ' ' CD1' ' A' ' 336' ' ' TYR . 0.1 OUTLIER -145.14 92.51 2.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 5.0800000000000001 111.004 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -87.16 164.42 16.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 6.0700000000000003 110.303 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . 0.494 ' CG2' ' O ' ' A' ' 338' ' ' ILE . 0.2 OUTLIER -154.13 111.42 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 5.7699999999999996 109.37 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -71.81 -38.08 70.28 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.522 1.139 . . . . 4.9900000000000002 110.262 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -43.38 -35.02 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 3.0499999999999998 109.354 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.38 -19.07 13.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 5.0099999999999998 110.361 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 68.01 44.94 1.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 4.75 109.25 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -114.47 171.23 7.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 2.4500000000000002 110.278 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 344' ' ' VAL . . . . . 0.463 ' CG1' HD21 ' A' ' 346' ' ' LEU . 24.9 t -138.81 106.57 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 2.98 109.352 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 345' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -103.99 130.35 51.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 5.2699999999999996 110.937 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . 0.463 HD21 ' CG1' ' A' ' 344' ' ' VAL . 3.2 mm? -119.51 163.14 17.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 2.48 109.283 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 347' ' ' PHE . . . . . 0.537 ' CD2' ' HB2' ' A' ' 334' ' ' ALA . 20.9 m-85 -137.34 137.81 39.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 3.1499999999999999 111.035 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 348' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.1 OUTLIER -166.2 125.41 1.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.414 1.071 . . . . 4.1500000000000004 109.298 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.4 t70 53.54 -151.84 0.32 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 3.02 109.341 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 350' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -89.37 41.92 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 4.7000000000000002 109.297 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 348' ' ' LYS . 5.3 mttp -155.19 154.17 31.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.605 1.191 . . . . 2.9399999999999999 109.3 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 352' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 352' ' ' TYR . 26.0 p90 -140.0 141.38 36.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 3.8500000000000001 111.028 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -101.99 156.56 17.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 7.8399999999999999 108.012 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 354' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -121.06 131.68 54.42 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 1.093 . . . . 3.8399999999999999 109.268 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 344' ' ' VAL . 3.9 mp -130.62 93.56 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 2.54 109.255 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 86.2 p -98.51 135.22 40.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 2.5099999999999998 110.023 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 357' ' ' ASN . . . . . 0.42 ' O ' ' CD2' ' A' ' 358' ' ' LEU . 8.6 m120 60.44 43.06 13.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.124 . . . . 3.5 109.263 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . 0.42 ' CD2' ' O ' ' A' ' 357' ' ' ASN . 0.3 OUTLIER 54.07 36.85 25.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 3.8399999999999999 109.292 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 10.3 mmm-85 -149.2 129.32 6.66 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 5.04 110.319 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 360' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 165.35 31.46 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.459 1.768 . . . . 1.6100000000000001 110.998 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 361' ' ' GLU . . . . . 0.603 ' OE2' ' CE1' ' A' ' 364' ' ' TYR . 0.7 OUTLIER -81.15 165.49 44.5 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 3.0600000000000001 110.255 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 362' ' ' PRO . . . . . 0.54 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.2 Cg_endo -75.02 56.03 4.14 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.457 1.767 . . . . 2.9700000000000002 110.972 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 363' ' ' ASN . . . . . 0.54 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 1.7 m-20 84.96 102.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 4.3799999999999999 109.221 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 364' ' ' TYR . . . . . 0.603 ' CE1' ' OE2' ' A' ' 361' ' ' GLU . 0.1 OUTLIER -127.77 65.97 69.35 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 3.3999999999999999 111.011 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . 0.424 ' HD3' ' C ' ' A' ' 363' ' ' ASN . 18.2 Cg_endo -75.05 56.97 4.45 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.484 1.781 . . . . 1.24 111.013 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 366' ' ' LYS . . . . . 0.562 ' HE3' ' CE1' ' A' ' 364' ' ' TYR . 0.8 OUTLIER -83.64 -179.49 7.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 3.0299999999999998 109.308 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 2.2 m -148.7 137.85 21.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 2.48 110.015 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . 0.408 HD12 ' CG2' ' A' ' 377' ' ' VAL . 27.5 pt -59.92 -17.8 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 2.8999999999999999 109.324 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 369' ' ' HIS . . . . . 0.472 ' CA ' ' HB2' ' A' ' 373' ' ' PHE . 0.1 OUTLIER -60.52 -35.19 75.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 3.79 109.628 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 18.3 t -64.19 -10.55 23.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 2.5600000000000001 110.014 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -96.12 33.47 1.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 6.8700000000000001 110.98 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . 112.09 -43.25 1.76 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 4.1200000000000001 110.975 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 373' ' ' PHE . . . . . 0.472 ' HB2' ' CA ' ' A' ' 369' ' ' HIS . 0.8 OUTLIER 54.71 95.67 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.535 0.785 . . . . 5.7999999999999998 111.046 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 374' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -163.94 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.56 1.821 . . . . 2.3900000000000001 110.994 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 32.5 p30 -116.3 51.22 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 5.8899999999999997 109.272 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 178.09 36.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 9.3699999999999992 110.96 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 377' ' ' VAL . . . . . 0.414 ' O ' ' CB ' ' A' ' 378' ' ' LYS . 2.2 p -117.75 157.44 19.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.526 1.141 . . . . 3.6099999999999999 109.307 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 378' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 377' ' ' VAL . 1.9 mtmt 169.86 -36.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 4.2199999999999998 109.309 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -149.97 127.58 11.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 2.4500000000000002 109.326 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 9.6 mt -92.71 143.56 11.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 1.95 109.244 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.76 -49.69 7.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 1.8200000000000001 109.368 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 382' ' ' ALA . . . . . 0.452 ' CB ' HG21 ' A' ' 432' ' ' VAL . . . -159.04 167.5 29.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 1.6799999999999999 109.286 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -149.06 120.58 7.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 1.6899999999999999 109.332 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . 0.406 HG22 ' N ' ' A' ' 385' ' ' PHE . 12.2 p -126.82 154.6 36.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 2.98 109.267 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 385' ' ' PHE . . . . . 0.406 ' N ' HG22 ' A' ' 384' ' ' VAL . 17.3 t80 -102.19 155.76 18.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 2.4199999999999999 110.98 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -141.96 96.24 6.7 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 3.1899999999999999 109.236 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -11.68 21.48 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.525 1.803 . . . . 2.1000000000000001 110.98 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -75.23 -24.98 57.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 3.2400000000000002 110.291 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.46 4.52 7.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 3.9900000000000002 110.983 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 54.09 31.15 13.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 3.27 111.013 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 391' ' ' ARG . . . . . 0.438 ' NH1' ' OD2' ' A' ' 411' ' ' ASP . 6.4 mtt180 -131.08 165.7 22.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 3.9500000000000002 110.266 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 50.9 m -125.92 132.84 52.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 1.78 110.342 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . 0.485 ' CE2' ' OH ' ' A' ' 400' ' ' TYR . 6.3 m-85 -80.19 140.81 36.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 2.6099999999999999 110.964 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -128.59 113.37 15.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.414 1.071 . . . . 3.5499999999999998 111.047 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . 0.527 ' CD2' HG23 ' A' ' 429' ' ' ILE . 23.2 m-85 -98.03 120.06 37.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 1.73 111.006 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 5.1 t -145.15 130.85 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 2.52 109.304 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 1.5 t0 50.49 -153.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 3.29 109.328 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -89.04 49.63 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.591 1.182 . . . . 4.1200000000000001 109.261 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -147.46 159.52 43.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 2.9300000000000002 110.282 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 400' ' ' TYR . . . . . 0.485 ' OH ' ' CE2' ' A' ' 393' ' ' TYR . 2.6 t80 -116.65 109.6 17.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 3.79 111.003 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' TRP . . . . . 0.478 ' CH2' ' HE1' ' A' ' 410' ' ' MET . 3.0 m95 -107.24 154.46 21.2 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 6.8700000000000001 108.044 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -148.43 125.3 11.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 3.23 110.288 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 403' ' ' TYR . . . . . 0.464 ' CD2' ' HB3' ' A' ' 410' ' ' MET . 5.8 m-85 -105.01 167.0 9.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.408 1.068 . . . . 7.8899999999999997 110.975 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.31 128.04 54.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 2.1499999999999999 109.327 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -87.03 -40.87 14.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 2.6400000000000001 110.291 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -64.88 0.79 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 6.2999999999999998 110.388 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -41.93 96.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 4.1699999999999999 110.29 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 77.46 40.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 3.2599999999999998 110.26 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.27 105.22 4.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 2.8999999999999999 110.994 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 410' ' ' MET . . . . . 0.478 ' HE1' ' CH2' ' A' ' 401' ' ' TRP . 0.2 OUTLIER -55.48 133.14 49.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 4.3300000000000001 110.945 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . 0.438 ' OD2' ' NH1' ' A' ' 391' ' ' ARG . 0.2 OUTLIER -51.13 139.87 23.39 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 2.6400000000000001 109.298 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 110.44 3.12 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.525 1.803 . . . . 2.8599999999999999 110.983 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 49.96 101.53 0.01 OUTLIER Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.464 1.102 . . . . 1.9399999999999999 110.952 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 414' ' ' TYR . . . . . 0.559 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 2.0 t80 -133.97 62.84 59.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.481 0.754 . . . . 2.5299999999999998 111.034 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 415' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.1 Cg_endo -75.08 66.64 6.08 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 1.47 110.992 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . 0.559 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 15.0 mmtt -84.83 -172.38 4.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 3.04 109.304 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.26 132.83 38.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 2.9100000000000001 109.266 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . 0.471 HG12 ' CD1' ' A' ' 395' ' ' PHE . 3.6 mp -60.64 -73.45 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 2.1600000000000001 109.284 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 419' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 418' ' ' ILE . 0.7 OUTLIER -38.64 -30.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 2.4900000000000002 110.383 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 418' ' ' ILE . 31.5 mttt -70.36 -58.45 3.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 2.79 109.286 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -59.95 -47.58 85.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 3.8999999999999999 109.281 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 422' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -122.24 101.39 7.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 3.8100000000000001 110.948 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -88.88 115.91 26.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 2.4399999999999999 110.276 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 140.15 -29.42 2.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 1.99 110.968 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 425' ' ' ILE . . . . . 0.414 HD12 ' CG2' ' A' ' 418' ' ' ILE . 20.2 pt -85.06 -48.57 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 3.4500000000000002 109.298 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 127.82 169.7 12.7 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.112 . . . . 1.21 111.079 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -16.08 20.47 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.498 1.789 . . . . 1.45 111.056 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.4 134.87 54.7 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 3.4500000000000002 109.305 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 429' ' ' ILE . . . . . 0.527 HG23 ' CD2' ' A' ' 395' ' ' PHE . 5.7 tp -115.41 148.0 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 2.6699999999999999 109.267 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 443' ' ' PHE . 7.2 t0 -107.01 -63.11 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 2.6899999999999999 109.341 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -131.07 147.89 52.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 2.4900000000000002 109.253 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.452 HG21 ' CB ' ' A' ' 382' ' ' ALA . 21.3 t -145.75 128.43 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 4.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' PHE . . . . . 0.552 ' CE2' ' HB3' ' A' ' 441' ' ' TYR . 26.7 p90 -146.45 138.89 25.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 4.0300000000000002 111.064 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -119.68 120.02 35.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 4.46 110.982 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' SER . . . . . 0.449 ' HB2' ' CB ' ' A' ' 293' ' ' THR . 10.9 t -134.3 9.99 3.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 3.73 110.005 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' LYS . . . . . 0.47 ' CB ' ' HB2' ' A' ' 439' ' ' TYR . 0.2 OUTLIER -100.41 -154.35 0.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 5.8099999999999996 109.334 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -109.83 -39.44 5.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 5.3499999999999996 109.265 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 438' ' ' LYS . 0.3 OUTLIER -147.31 39.37 0.99 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.402 1.064 . . . . 6.5 109.369 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' TYR . . . . . 0.47 ' HB2' ' CB ' ' A' ' 436' ' ' LYS . 86.7 m-85 -138.06 147.27 43.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 4.6500000000000004 111.016 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' TYR . . . . . 0.424 ' HB2' ' CE1' ' A' ' 442' ' ' PHE . 7.4 m-85 -128.05 136.48 51.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 4.1799999999999997 110.942 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' TYR . . . . . 0.552 ' HB3' ' CE2' ' A' ' 433' ' ' PHE . 83.8 m-85 -105.05 130.36 53.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 4.4900000000000002 111.009 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . 0.424 ' CE1' ' HB2' ' A' ' 440' ' ' TYR . 37.0 m-85 -123.3 149.81 44.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 4.0999999999999996 111.016 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' PHE . . . . . 0.535 ' CE1' ' HB3' ' A' ' 448' ' ' GLN . 1.5 m-85 -123.54 122.08 37.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 5.6600000000000001 110.969 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . 0.44 ' O ' ' ND2' ' A' ' 447' ' ' ASN . 0.0 OUTLIER -126.97 77.58 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 4.1399999999999997 110.313 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 98.11 -113.56 4.76 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.442 1.089 . . . . 2.4900000000000002 111.048 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 67.9 p -111.47 11.44 21.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 2.4399999999999999 109.989 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 444' ' ' GLN . 0.2 OUTLIER -132.92 133.23 42.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 2.02 109.277 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' GLN . . . . . 0.535 ' HB3' ' CE1' ' A' ' 443' ' ' PHE . 0.1 OUTLIER -113.5 134.82 54.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 4.9500000000000002 110.247 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -108.27 151.19 26.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 3.9100000000000001 110.979 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . 0.538 ' OE1' ' CE1' ' A' ' 441' ' ' TYR . 57.2 tt0 -124.13 100.42 6.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 3.04 110.331 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -79.62 119.84 23.12 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.541 1.151 . . . . 4.1799999999999997 111.035 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.17 158.55 16.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 4.21 109.282 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -90.82 -10.91 41.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 5.2999999999999998 111.009 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 12.2 tp -47.06 -34.97 6.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 4.25 109.304 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.442 ' CD1' ' HB2' ' A' ' 457' ' ' ARG . 0.3 OUTLIER -168.08 32.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 4.2800000000000002 109.242 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 44.3 58.72 3.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 3.5499999999999998 110.326 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' ARG . . . . . 0.442 ' HB2' ' CD1' ' A' ' 455' ' ' LEU . 2.7 mmm180 -140.96 175.65 9.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.612 1.195 . . . . 4.7800000000000002 110.277 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 11.4 mt -110.29 121.57 63.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 3.0299999999999998 109.291 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 13.6 t -110.79 -19.81 12.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 3.2000000000000002 110.452 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.37 134.48 53.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 5.6399999999999997 109.33 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 4.0 p -155.12 87.07 1.11 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.529 1.143 . . . . 3.5899999999999999 110.354 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' LEU . . . . . 0.423 ' CD2' ' HG2' ' A' ' 448' ' ' GLN . 0.0 OUTLIER -105.63 150.82 25.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 4.0300000000000002 109.27 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 31.5 mtpt -95.48 159.98 14.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.588 1.18 . . . . 4.0700000000000003 109.307 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 16.9 t -51.8 -44.59 63.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 2.3900000000000001 109.991 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -94.08 51.59 1.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 3.1800000000000002 109.305 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 466' ' ' SER . . . . . 0.413 ' HB3' ' CD1' ' A' ' 462' ' ' LEU . 0.2 OUTLIER -128.5 51.75 1.97 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 3.46 110.04 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -177.89 -40.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 5.5800000000000001 108.013 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 468' ' ' PHE . . . . . 0.567 ' C ' ' CD1' ' A' ' 468' ' ' PHE . 0.1 OUTLIER -61.08 -28.37 69.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 8.6999999999999993 111.022 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 113.79 42.27 0.87 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.525 1.141 . . . . 2.9900000000000002 111.024 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 N-CA-C 108.387 -0.968 . . . . 3.5299999999999998 108.387 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 471' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 277' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.482 0.182 . . . . 8.0600000000000005 110.984 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 40.21 79.92 0.3 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 6.9699999999999998 110.296 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 279' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 281' ' ' LEU . 18.2 Cg_endo -75.03 83.15 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.491 1.785 . . . . 3.3500000000000001 110.988 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 280' ' ' ALA . . . . . 0.441 ' CB ' ' HB2' ' A' ' 283' ' ' ASP . . . -46.03 96.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 3.1200000000000001 109.272 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 281' ' ' LEU . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 468' ' ' PHE . 15.6 mt -67.6 -35.64 79.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.586 1.179 . . . . 3.0699999999999998 109.31 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 282' ' ' CYS . . . . . . . . . . . . . 7.2 t -96.78 57.97 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 2.8700000000000001 108.288 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 283' ' ' ASP . . . . . 0.441 ' HB2' ' CB ' ' A' ' 280' ' ' ALA . 11.6 m-20 -167.7 127.4 1.08 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 3.1800000000000002 109.342 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 81.92 2.12 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.552 1.817 . . . . 1.96 111.023 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 285' ' ' ASN . . . . . 0.435 ' N ' HD21 ' A' ' 285' ' ' ASN . 0.0 OUTLIER -174.93 34.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 2.6699999999999999 109.338 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -101.69 139.34 37.47 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 2.9500000000000002 109.371 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 56.8 p -132.36 151.22 51.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 2.2400000000000002 110.016 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 288' ' ' PHE . . . . . 0.769 ' CE2' ' CD1' ' A' ' 300' ' ' PHE . 16.8 m-85 -119.88 166.05 13.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 3.8900000000000001 110.983 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.0 -62.6 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 2.2599999999999998 109.281 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -127.65 160.61 31.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 1.8100000000000001 109.288 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 291' ' ' VAL . . . . . . . . . . . . . 16.9 m -142.85 135.91 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 3.0600000000000001 109.306 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 292' ' ' THR . . . . . 0.441 ' OG1' ' CB ' ' A' ' 335' ' ' ALA . 1.6 m -151.72 158.51 43.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 2.6600000000000001 110.36 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 9.4 t -129.08 149.61 50.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 2.9199999999999999 110.43 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 53.0 t -130.94 71.72 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 2.5899999999999999 109.308 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 94.33 -107.55 3.56 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.575 1.172 . . . . 1.71 111.033 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 296' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 296' ' ' ASN . 2.5 p-10 -108.46 18.21 21.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 0.738 . . . . 4.1600000000000001 109.252 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . 0.499 ' CG ' HG23 ' A' ' 310' ' ' VAL . 0.0 OUTLIER -125.32 153.63 43.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 4.4500000000000002 109.283 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 2.2 pp -124.1 172.17 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 4.3200000000000003 109.289 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -144.2 125.87 15.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 3.46 111.002 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 300' ' ' PHE . . . . . 0.769 ' CD1' ' CE2' ' A' ' 288' ' ' PHE . 4.8 m-85 -109.06 98.52 7.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 4.2699999999999996 110.992 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -80.59 143.15 33.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 3.79 110.974 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -111.78 -63.45 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.165 . . . . 4.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -167.54 -60.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 3.6699999999999999 109.252 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.16 -27.99 8.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 6.7699999999999996 110.27 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . 0.473 ' CE1' HD12 ' A' ' 320' ' ' LEU . 24.5 m-85 -113.72 161.31 17.67 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 3.9399999999999999 111.043 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 306' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -123.51 135.46 54.05 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.594 1.184 . . . . 2.21 111.021 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 307' ' ' TRP . . . . . 0.498 ' CE2' HG22 ' A' ' 318' ' ' VAL . 1.4 m-90 -90.13 146.97 23.89 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.963 -1.125 . . . . 6.2199999999999998 107.963 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.65 79.31 1.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 3.02 109.312 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -105.26 88.55 2.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 3.1499999999999999 109.299 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . 0.499 HG23 ' CG ' ' A' ' 297' ' ' LYS . 4.9 p -105.65 178.53 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.621 1.2 . . . . 3.6800000000000002 109.35 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 10.9 t -67.18 139.03 57.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 6.1500000000000004 110.031 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 70.49 41.41 0.98 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 5.6200000000000001 110.298 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -106.31 130.1 23.49 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 5.2400000000000002 110.317 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -36.1 2.71 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.538 1.81 . . . . 2.8100000000000001 111.044 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -156.28 162.72 40.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.093 . . . . 4.9299999999999997 109.311 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 24.4 p -80.17 144.04 33.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 2.8399999999999999 110.409 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.19 156.89 18.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 2.1200000000000001 109.986 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 318' ' ' VAL . . . . . 0.498 HG22 ' CE2' ' A' ' 307' ' ' TRP . 84.4 t -142.98 65.57 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 3.02 109.293 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -105.32 -179.56 3.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 2.3500000000000001 109.274 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . 0.473 HD12 ' CE1' ' A' ' 305' ' ' PHE . 0.6 OUTLIER -103.69 158.15 16.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 2.9700000000000002 109.232 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 321' ' ' ILE . . . . . . . . . . . . . 4.1 mt -68.26 -72.74 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 2.1499999999999999 109.297 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 62.2 m -41.55 -32.91 0.39 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 2.5499999999999998 110.026 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.39 -46.43 6.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 1.75 109.938 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.94 -76.72 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 2.9700000000000002 109.281 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -46.94 148.25 1.96 Allowed Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.519 1.137 . . . . 1.8400000000000001 108.067 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -74.99 -74.22 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.525 1.803 . . . . 1.3300000000000001 110.996 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 327' ' ' THR . . . . . . . . . . . . . 73.9 m -111.66 94.11 4.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 3.04 110.468 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . 0.431 ' CD1' ' HD2' ' A' ' 329' ' ' PRO . 3.2 mm? -137.21 141.24 33.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 2.1200000000000001 109.309 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 329' ' ' PRO . . . . . 0.431 ' HD2' ' CD1' ' A' ' 328' ' ' LEU . 18.3 Cg_endo -74.96 158.02 42.61 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.533 1.807 . . . . 2.0600000000000001 111.051 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 8.3 p -108.89 152.26 25.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 3.0699999999999998 109.962 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 74.28 45.33 25.2 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.49 1.119 . . . . 1.5 110.991 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.429 ' CG2' ' O ' ' A' ' 334' ' ' ALA . 20.5 mt -58.17 129.66 20.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.403 0.707 . . . . 2.54 109.339 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.61 -37.72 14.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.383 1.052 . . . . 3.2200000000000002 110.29 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 334' ' ' ALA . . . . . 0.429 ' CB ' ' HA ' ' A' ' 382' ' ' ALA . . . -136.11 157.36 47.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 2.1000000000000001 109.308 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . 0.441 ' CB ' ' OG1' ' A' ' 292' ' ' THR . . . -146.09 108.67 4.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 2.1000000000000001 109.317 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 336' ' ' TYR . . . . . 0.541 ' CE1' HG21 ' A' ' 392' ' ' THR . 34.9 t80 -103.8 147.03 27.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 4.5 111.014 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -116.36 124.4 49.97 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.442 1.089 . . . . 4.8899999999999997 110.247 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . 0.433 ' CG2' ' O ' ' A' ' 338' ' ' ILE . 3.4 tt -97.96 74.8 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 5.1500000000000004 109.269 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.3 63.99 0.15 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.143 . . . . 3.6699999999999999 110.339 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 338' ' ' ILE . . . -140.58 -67.46 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 3.0499999999999998 109.255 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 19.5 ptp180 -94.63 10.04 36.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 4.5599999999999996 110.276 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 54.9 t30 61.47 79.12 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.173 . . . . 2.4399999999999999 109.337 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -150.95 162.42 40.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 3.6600000000000001 110.311 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 344' ' ' VAL . . . . . . . . . . . . . 87.4 t -117.3 133.42 64.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 2.6099999999999999 109.31 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 345' ' ' PHE . . . . . 0.459 ' CE1' HD12 ' A' ' 354' ' ' LEU . 5.2 m-85 -122.67 141.49 51.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 3.8999999999999999 111.026 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . 0.414 HD11 ' CD1' ' A' ' 328' ' ' LEU . 85.2 mt -127.35 169.86 13.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.495 1.122 . . . . 3.6099999999999999 109.282 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 347' ' ' PHE . . . . . 0.484 ' CD1' HD13 ' A' ' 380' ' ' ILE . 33.4 m-85 -138.28 143.34 39.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 3.23 111.02 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 348' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.1 OUTLIER -163.76 117.54 1.51 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 5.3499999999999996 109.273 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 5.4 t0 54.45 -150.88 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 3.1299999999999999 109.28 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 350' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 3.9 t70 -87.88 41.34 0.99 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 4.29 109.242 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.419 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 2.7 mtmp? -155.07 152.77 29.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 3.0899999999999999 109.279 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 352' ' ' TYR . . . . . 0.471 ' CD2' HG21 ' A' ' 368' ' ' ILE . 29.6 p90 -141.25 155.68 45.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 3.8799999999999999 110.999 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 3.5 m-90 -116.65 163.37 16.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 5.4699999999999998 107.973 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 354' ' ' LEU . . . . . 0.459 HD12 ' CE1' ' A' ' 345' ' ' PHE . 0.3 OUTLIER -137.48 135.73 37.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 3.0600000000000001 109.349 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -119.54 115.5 47.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 5.04 109.292 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 6.3 t -116.16 134.5 54.86 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 2.6899999999999999 109.989 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 357' ' ' ASN . . . . . 0.49 ' O ' ' CD2' ' A' ' 358' ' ' LEU . 48.1 m-20 56.38 46.19 21.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 3.9300000000000002 109.242 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 357' ' ' ASN . 0.2 OUTLIER 54.12 27.45 7.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 4.0099999999999998 109.33 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 1.8 mmt-85 -143.05 127.46 9.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 4.6299999999999999 110.312 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 360' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 166.26 29.6 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.489 1.784 . . . . 1.8400000000000001 111.009 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -76.07 158.9 81.62 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.586 1.179 . . . . 2.5 110.299 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 362' ' ' PRO . . . . . 0.549 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.4 Cg_endo -74.87 59.75 5.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.468 1.772 . . . . 3.21 111.021 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 363' ' ' ASN . . . . . 0.549 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 9.2 m-20 85.73 102.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 4.0899999999999999 109.304 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 364' ' ' TYR . . . . . 0.556 ' CD1' ' HE2' ' A' ' 366' ' ' LYS . 0.0 OUTLIER -128.99 65.99 75.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 3.4100000000000001 111.029 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 54.66 3.68 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.784 . . . . 1.29 111.077 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 366' ' ' LYS . . . . . 0.556 ' HE2' ' CD1' ' A' ' 364' ' ' TYR . 0.3 OUTLIER -79.47 178.22 8.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 3.0499999999999998 109.256 -179.909 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.42 135.57 23.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 2.5899999999999999 109.996 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . 0.471 HG21 ' CD2' ' A' ' 352' ' ' TYR . 1.1 pp -61.73 -16.47 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.43 1.081 . . . . 2.8300000000000001 109.328 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 369' ' ' HIS . . . . . 0.485 ' CA ' ' HB2' ' A' ' 373' ' ' PHE . 0.0 OUTLIER -71.05 -37.56 72.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 3.98 109.546 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.59 -9.94 15.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 3.27 109.977 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.97 5.21 51.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 7.5199999999999996 111.014 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 372' ' ' GLY . . . . . 0.424 ' O ' ' HB3' ' A' ' 373' ' ' PHE . . . 157.66 -64.79 0.3 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 3.4500000000000002 110.969 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 373' ' ' PHE . . . . . 0.581 ' CZ ' ' HA ' ' A' ' 375' ' ' ASN . 31.6 t80 58.08 95.04 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.54 0.788 . . . . 5.7800000000000002 111.022 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 374' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -1.13 10.83 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 2.7599999999999998 111.009 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 375' ' ' ASN . . . . . 0.581 ' HA ' ' CZ ' ' A' ' 373' ' ' PHE . 1.5 t-20 74.05 45.77 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 7.6799999999999997 109.326 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -159.53 -43.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 6.7800000000000002 110.945 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 377' ' ' VAL . . . . . . . . . . . . . 34.6 m -48.82 170.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.586 1.179 . . . . 3.96 109.331 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 378' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' A' ' 379' ' ' LYS . 0.0 OUTLIER -177.88 -35.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 6.25 109.287 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . 0.455 ' N ' ' HG2' ' A' ' 378' ' ' LYS . 0.0 OUTLIER -149.61 132.54 16.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 2.5299999999999998 109.317 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . 0.484 HD13 ' CD1' ' A' ' 347' ' ' PHE . 11.9 mt -98.91 143.55 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 1.8300000000000001 109.287 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 381' ' ' ASP . . . . . 0.411 ' CG ' ' O ' ' A' ' 429' ' ' ILE . 4.1 m-20 -81.11 -49.68 10.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 1.97 109.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 382' ' ' ALA . . . . . 0.439 ' HB3' ' CG1' ' A' ' 432' ' ' VAL . . . -168.1 171.46 9.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 2.6099999999999999 109.294 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -153.53 130.75 11.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 1.9099999999999999 109.284 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 19.0 m -123.38 159.01 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 3.6299999999999999 109.273 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 385' ' ' PHE . . . . . 0.406 ' HB2' ' CE1' ' A' ' 336' ' ' TYR . 20.7 t80 -97.77 153.73 18.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 2.5899999999999999 111.056 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -137.77 93.6 12.15 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 3.5800000000000001 109.308 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -16.72 20.11 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.402 1.738 . . . . 2.21 111.016 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -75.42 -40.33 57.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.396 1.06 . . . . 3.3500000000000001 110.267 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -108.64 13.03 25.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 4.6600000000000001 110.979 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 41.83 51.32 4.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 3.3300000000000001 110.972 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 -151.6 174.03 13.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.613 1.196 . . . . 4.2400000000000002 110.273 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 392' ' ' THR . . . . . 0.541 HG21 ' CE1' ' A' ' 336' ' ' TYR . 18.3 m -131.59 133.78 45.36 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.555 1.159 . . . . 1.72 110.386 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . 0.448 ' CD2' ' CE1' ' A' ' 400' ' ' TYR . 7.2 m-85 -80.42 134.99 36.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 2.3999999999999999 110.997 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 394' ' ' PHE . . . . . 0.501 ' CD1' ' CD1' ' A' ' 403' ' ' TYR . 2.4 m-85 -121.93 105.46 10.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.143 . . . . 3.6499999999999999 110.957 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . 0.56 ' CD1' HG21 ' A' ' 429' ' ' ILE . 81.6 m-85 -89.52 116.65 27.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 1.6399999999999999 110.995 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 10.7 m -143.36 131.69 19.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 4.2199999999999998 109.254 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 51.88 -154.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 4.4199999999999999 109.267 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -87.59 49.6 1.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 3.8799999999999999 109.324 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -146.66 162.93 37.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 2.7400000000000002 110.219 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 400' ' ' TYR . . . . . 0.501 ' O ' ' CG ' ' A' ' 400' ' ' TYR . 0.4 OUTLIER -117.15 87.27 2.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 3.3700000000000001 110.996 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -82.42 156.66 24.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 6.4299999999999997 108.0 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -154.09 127.17 8.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 4.5 110.253 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 403' ' ' TYR . . . . . 0.525 ' CD2' ' HB3' ' A' ' 410' ' ' MET . 9.1 m-85 -106.08 177.3 4.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 7.7800000000000002 110.96 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -119.71 129.62 54.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 2.5600000000000001 109.294 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -86.19 -50.3 7.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 3.7400000000000002 110.301 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -59.07 -64.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 9.2300000000000004 110.294 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.79 -39.56 92.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 3.5499999999999998 110.275 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 71.59 46.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 3.3199999999999998 110.329 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 11.4 tpt -144.91 108.86 4.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 3.3300000000000001 110.951 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 410' ' ' MET . . . . . 0.525 ' HB3' ' CD2' ' A' ' 403' ' ' TYR . 0.0 OUTLIER -57.87 129.27 41.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.578 1.174 . . . . 2.8599999999999999 110.943 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.93 135.66 56.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 2.6699999999999999 109.293 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 113.11 3.72 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.448 1.762 . . . . 2.6499999999999999 110.99 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 49.86 101.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.467 1.104 . . . . 1.9399999999999999 111.022 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 414' ' ' TYR . . . . . 0.578 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 1.8 t80 -135.34 62.61 51.33 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 2.3999999999999999 110.974 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 415' ' ' PRO . . . . . 0.432 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -75.02 66.22 6.05 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.507 1.793 . . . . 1.55 111.019 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . 0.578 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 9.7 mmtt -80.68 -171.45 3.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 4.3499999999999996 109.307 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.65 138.73 41.42 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.497 1.123 . . . . 3.9100000000000001 109.304 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 420' ' ' LYS . 3.6 mp -69.78 -73.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 2.2400000000000002 109.34 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 419' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 418' ' ' ILE . 9.3 t -38.12 -31.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 1.97 110.432 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 418' ' ' ILE . 9.2 mtpt -70.35 -70.0 0.32 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.553 1.158 . . . . 3.3500000000000001 109.343 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . 0.479 ' OD1' ' CZ ' ' A' ' 422' ' ' PHE . 22.8 t-20 -48.79 -50.69 32.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 2.5699999999999998 109.279 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 422' ' ' PHE . . . . . 0.479 ' CZ ' ' OD1' ' A' ' 421' ' ' ASN . 70.1 m-85 -118.48 97.79 5.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 3.8599999999999999 111.006 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -70.07 151.56 45.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 3.6299999999999999 110.26 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 73.61 40.25 47.1 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.443 1.089 . . . . 2.1499999999999999 111.019 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 425' ' ' ILE . . . . . . . . . . . . . 4.8 mm -134.57 -64.64 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 0.752 . . . . 4.3600000000000003 109.362 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 139.62 164.1 9.76 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.459 1.099 . . . . 1.5600000000000001 111.0 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -18.68 18.75 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.525 1.803 . . . . 1.74 110.983 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . 0.443 ' O ' ' NE2' ' A' ' 444' ' ' GLN . 0.9 OUTLIER -128.97 141.73 51.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 4.1299999999999999 109.297 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 429' ' ' ILE . . . . . 0.56 HG21 ' CD1' ' A' ' 395' ' ' PHE . 7.5 tp -111.54 158.17 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 2.6299999999999999 109.33 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -110.01 -45.15 3.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 2.3500000000000001 109.252 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -162.3 152.48 16.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 1.71 109.32 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.552 HG22 ' CE1' ' A' ' 442' ' ' PHE . 8.4 p -159.21 140.61 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 2.5499999999999998 109.231 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' PHE . . . . . 0.434 ' CE2' ' HB3' ' A' ' 435' ' ' SER . 2.3 p90 -153.17 152.92 31.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 3.98 110.984 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' TYR . . . . . 0.599 ' O ' ' CD2' ' A' ' 434' ' ' TYR . 7.9 t80 -102.85 96.03 6.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 5.2599999999999998 111.029 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' SER . . . . . 0.434 ' HB3' ' CE2' ' A' ' 433' ' ' PHE . 98.5 p -108.77 -19.72 13.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 3.3300000000000001 109.975 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' LYS . . . . . 0.402 ' CB ' ' HB2' ' A' ' 439' ' ' TYR . 20.9 mmtt -81.74 -169.23 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 4.4000000000000004 109.3 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -91.63 -42.01 10.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 5.0300000000000002 109.305 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . 0.432 ' O ' ' CG ' ' A' ' 438' ' ' LYS . 0.0 OUTLIER -156.85 59.67 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 3.8799999999999999 109.292 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' TYR . . . . . 0.46 ' CE1' ' HB2' ' A' ' 452' ' ' ASP . 34.9 m-85 -146.35 156.19 43.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 3.9100000000000001 111.041 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -118.94 122.84 43.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 4.4000000000000004 111.03 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' TYR . . . . . 0.542 ' CE1' ' HG3' ' A' ' 450' ' ' GLU . 6.7 m-85 -109.39 102.55 11.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 3.3199999999999998 110.999 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . 0.552 ' CE1' HG22 ' A' ' 432' ' ' VAL . 37.8 m-85 -104.06 155.93 18.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 4.3700000000000001 110.948 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -154.69 150.86 28.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 6.7599999999999998 111.0 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . 0.536 ' O ' ' CG ' ' A' ' 444' ' ' GLN . 3.2 tt0 -163.99 66.04 0.16 Allowed 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.449 1.093 . . . . 4.9000000000000004 110.27 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 137.92 -72.27 0.45 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 1.8400000000000001 111.009 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 1.7 t -172.47 49.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 3.2400000000000002 110.002 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.36 123.54 7.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 2.1000000000000001 109.284 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -107.43 94.74 5.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 4.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -82.73 135.33 35.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 3.9700000000000002 110.992 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . 0.542 ' HG3' ' CE1' ' A' ' 441' ' ' TYR . 5.9 tt0 -108.82 115.57 30.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 2.7999999999999998 110.339 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -101.81 152.73 20.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 3.9100000000000001 111.008 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' ASP . . . . . 0.46 ' HB2' ' CE1' ' A' ' 439' ' ' TYR . 46.0 t0 -144.86 162.25 37.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 3.5299999999999998 109.319 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . 0.554 ' O ' ' CD1' ' A' ' 453' ' ' PHE . 25.8 t80 -83.9 -7.93 59.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.586 1.179 . . . . 6.3099999999999996 110.97 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 31.9 tp -45.16 -37.11 4.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 4.4500000000000002 109.346 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -173.48 35.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 3.5800000000000001 109.281 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 40.31 54.2 2.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 5.3200000000000003 110.261 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -139.97 159.02 43.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 4.7000000000000002 110.249 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 56.5 mt -84.5 143.27 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 2.4399999999999999 109.405 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 81.5 p -122.16 -40.11 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 4.1600000000000001 110.433 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' LYS . . . . . 0.434 ' HB3' ' CB ' ' A' ' 450' ' ' GLU . 0.0 OUTLIER -110.16 131.76 54.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 4.5800000000000001 109.293 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 1.9 p -136.45 64.72 1.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 3.3300000000000001 110.429 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -90.87 179.1 5.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 3.0600000000000001 109.286 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -107.96 165.18 11.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 3.0800000000000001 109.274 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 37.7 t -56.12 -46.56 79.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 3.1000000000000001 109.953 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 34.2 p-10 -89.48 56.01 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 3.1400000000000001 109.343 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 30.0 t -106.44 -20.04 13.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.098 . . . . 3.1099999999999999 110.006 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 467' ' ' TRP . . . . . 0.444 ' HA ' ' CE3' ' A' ' 467' ' ' TRP . 0.1 OUTLIER -94.25 -54.68 3.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 4.96 107.999 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 468' ' ' PHE . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 281' ' ' LEU . 17.2 t80 -38.77 -50.91 1.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.587 1.18 . . . . 8.1500000000000004 111.005 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 123.83 60.97 0.19 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.519 1.137 . . . . 2.6899999999999999 111.036 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 N-CA-C 108.331 -0.988 . . . . 3.48 108.331 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 471' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 277' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.539 0.209 . . . . 9.5700000000000003 111.03 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -157.21 158.06 30.77 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 5.9800000000000004 110.271 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -161.88 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.545 1.813 . . . . 4.9100000000000001 110.946 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 280' ' ' ALA . . . . . . . . . . . . . . . -165.1 -61.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 3.5600000000000001 109.234 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 281' ' ' LEU . . . . . 0.591 ' O ' ' CZ ' ' A' ' 468' ' ' PHE . 0.2 OUTLIER 44.54 73.15 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 3.0800000000000001 109.311 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 282' ' ' CYS . . . . . 1.127 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 35.8 t 178.2 -80.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 4.5599999999999996 108.282 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 283' ' ' ASP . . . . . 0.411 ' O ' ' ND2' ' A' ' 285' ' ' ASN . 0.6 OUTLIER -93.35 169.03 10.9 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 4.9000000000000004 109.285 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 60.22 5.4 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.443 1.76 . . . . 3.3199999999999998 111.004 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 285' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 283' ' ' ASP . 0.0 OUTLIER -111.12 -15.88 13.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 3.7200000000000002 109.33 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 12.1 tp -106.23 164.09 12.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 4.2300000000000004 109.303 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 90.1 p -144.3 -179.98 6.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 2.4199999999999999 110.006 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 288' ' ' PHE . . . . . 0.42 ' CE2' ' OG ' ' A' ' 464' ' ' SER . 21.7 m-85 -135.26 167.91 20.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 3.1899999999999999 110.982 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.2 -55.64 2.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 2.3100000000000001 109.351 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -132.89 152.43 51.87 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.491 1.119 . . . . 1.6699999999999999 109.285 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 291' ' ' VAL . . . . . . . . . . . . . 3.2 m -149.79 121.02 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 2.8399999999999999 109.279 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 14.9 t -120.73 146.51 46.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 2.1299999999999999 110.396 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 74.4 p -98.02 141.2 31.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.085 . . . . 3.46 110.376 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 294' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 296' ' ' ASN . 88.8 t -137.21 113.48 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 2.8900000000000001 109.3 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 59.58 -81.97 0.01 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.469 1.105 . . . . 1.8899999999999999 110.976 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 296' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 294' ' ' VAL . 34.9 t30 -146.81 34.83 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 0.78 . . . . 4.4000000000000004 109.279 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . 0.466 ' HA ' ' CG1' ' A' ' 310' ' ' VAL . 1.9 mtpt -140.23 168.05 20.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 6.4500000000000002 109.318 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 2.2 pp -137.11 124.83 32.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.518 1.136 . . . . 4.1500000000000004 109.331 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -85.87 127.15 34.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 3.6600000000000001 111.058 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 300' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -97.98 116.94 31.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 3.8900000000000001 111.03 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -112.97 147.89 36.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 3.2799999999999998 111.082 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -128.84 -69.34 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 3.5899999999999999 109.271 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -143.93 -68.13 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 3.21 109.343 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.87 -61.01 1.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 4.54 110.261 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -80.85 171.95 14.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.451 1.094 . . . . 5.4800000000000004 111.024 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 306' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -142.8 158.97 43.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 2.2200000000000002 111.006 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 307' ' ' TRP . . . . . 0.55 ' CD1' HD22 ' A' ' 281' ' ' LEU . 9.0 m-90 -109.27 147.48 32.56 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.009 -1.108 . . . . 5.5700000000000003 108.009 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 8.8 tp -138.73 99.37 3.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 3.7000000000000002 109.29 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -154.91 106.31 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 4.04 109.279 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . 0.466 ' CG1' ' HA ' ' A' ' 297' ' ' LYS . 1.6 p -163.69 176.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 4.7400000000000002 109.291 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 9.3 t 64.58 -81.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 4.7300000000000004 110.027 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -154.82 72.65 0.85 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 6.0899999999999999 110.323 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.99 146.3 32.86 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.525 1.14 . . . . 6.3099999999999996 110.301 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -51.67 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 2.4100000000000001 111.037 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 24.5 ttpt -145.22 163.31 34.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 3.9900000000000002 109.277 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 61.3 p -76.15 177.96 6.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.08 . . . . 2.1499999999999999 110.451 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.34 175.52 10.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 2.3900000000000001 110.019 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 318' ' ' VAL . . . . . 0.506 HG13 ' CE2' ' A' ' 307' ' ' TRP . 2.2 m -145.45 83.72 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 3.9300000000000002 109.317 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -101.93 165.99 10.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 2.5299999999999998 109.324 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 61.7 tp -108.46 134.69 50.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 3.79 109.262 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 321' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 322' ' ' SER . 2.3 mt -60.79 -68.11 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 2.7999999999999998 109.301 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 322' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 321' ' ' ILE . 8.6 m -36.69 -42.99 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 2.77 110.04 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 323' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 322' ' ' SER . 3.4 t -38.39 -36.05 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 2.5899999999999999 109.989 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 4.5 mp -107.29 -74.22 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.177 . . . . 3.2999999999999998 109.348 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 325' ' ' TRP . . . . . 0.415 ' CD1' HD23 ' A' ' 328' ' ' LEU . 5.3 m-90 -55.79 130.58 72.27 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 3.98 107.994 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -77.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 2.4700000000000002 110.973 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 327' ' ' THR . . . . . 0.478 ' CG2' ' HG2' ' A' ' 360' ' ' PRO . 10.2 t -85.99 87.55 7.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 2.6299999999999999 110.371 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . 0.44 ' CD2' ' O ' ' A' ' 327' ' ' THR . 1.8 mm? -142.48 132.32 12.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 2.0800000000000001 109.358 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 329' ' ' PRO . . . . . 0.425 ' HD2' ' CD1' ' A' ' 328' ' ' LEU . 18.1 Cg_endo -75.02 -30.42 7.16 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 2.6099999999999999 110.929 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 7.2 p 60.33 -169.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 3.8599999999999999 109.987 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 49.08 22.7 3.32 Favored Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.432 1.083 . . . . 1.6899999999999999 111.023 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 346' ' ' LEU . 1.7 mp -50.06 136.52 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.756 . . . . 2.8799999999999999 109.286 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -89.0 -33.92 17.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 3.0 110.279 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -132.61 107.42 8.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 1.96 109.313 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -114.55 121.34 43.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 1.8899999999999999 109.226 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 336' ' ' TYR . . . . . 0.521 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 35.2 p90 -137.89 116.0 11.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 5.54 110.976 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.27 178.72 6.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 3.8399999999999999 110.325 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . 0.505 ' CG2' ' O ' ' A' ' 338' ' ' ILE . 0.1 OUTLIER -150.62 105.46 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 4.4699999999999998 109.319 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.15 83.98 7.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 3.3100000000000001 110.32 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -160.44 -60.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 2.2400000000000002 109.318 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 341' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 342' ' ' ASN . 7.9 ptp180 -91.44 -12.31 35.09 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.093 . . . . 6.29 110.365 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 342' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 341' ' ' ARG . 2.0 t-20 77.64 51.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 3.5800000000000001 109.267 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -136.07 142.4 44.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 2.6800000000000002 110.33 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 344' ' ' VAL . . . . . . . . . . . . . 11.1 t -106.35 151.51 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.522 1.139 . . . . 2.6699999999999999 109.297 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 345' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -131.21 130.32 42.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 3.8799999999999999 110.978 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . 0.463 ' HB3' ' CD1' ' A' ' 332' ' ' ILE . 4.0 mm? -131.91 114.65 14.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 2.3500000000000001 109.266 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 347' ' ' PHE . . . . . 0.563 ' CE2' ' HB ' ' A' ' 380' ' ' ILE . 3.3 t80 -99.3 152.73 19.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 8.2100000000000009 111.039 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 348' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.6 128.5 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 6.0599999999999996 109.236 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 6.0 t0 56.65 -150.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 2.9100000000000001 109.284 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 350' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -89.89 40.27 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 4.0800000000000001 109.334 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.414 ' HD2' ' CZ3' ' A' ' 353' ' ' TRP . 1.3 mttp -154.76 151.95 29.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 2.4100000000000001 109.306 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 352' ' ' TYR . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 366' ' ' LYS . 3.6 p90 -141.54 114.55 8.62 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.49 1.119 . . . . 4.1299999999999999 111.015 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 353' ' ' TRP . . . . . 0.598 ' CH2' ' HA ' ' A' ' 365' ' ' PRO . 0.6 OUTLIER -87.14 158.5 19.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 5.6299999999999999 108.008 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 354' ' ' LEU . . . . . 0.413 ' C ' ' CD1' ' A' ' 354' ' ' LEU . 0.3 OUTLIER -124.63 148.98 47.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 3.3399999999999999 109.328 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . 0.415 ' CG1' ' HB3' ' A' ' 360' ' ' PRO . 6.4 mt -135.99 135.27 50.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 2.6699999999999999 109.325 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 356' ' ' SER . . . . . 0.418 ' O ' ' CB ' ' A' ' 357' ' ' ASN . 1.7 t -113.2 106.48 14.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 2.6299999999999999 109.991 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 357' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 356' ' ' SER . 0.2 OUTLIER 76.49 -59.66 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 5.8600000000000003 109.303 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -161.22 -59.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 4.6299999999999999 109.271 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.16 123.09 87.49 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 5.0499999999999998 110.296 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 360' ' ' PRO . . . . . 0.478 ' HG2' ' CG2' ' A' ' 327' ' ' THR . 18.3 Cg_endo -75.03 -178.94 4.53 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.561 1.821 . . . . 1.8300000000000001 111.011 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -79.36 161.51 67.24 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 2.9100000000000001 110.3 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 362' ' ' PRO . . . . . 0.484 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.2 Cg_endo -75.07 64.36 6.11 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.548 1.815 . . . . 3.1200000000000001 110.963 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 363' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 0.7 OUTLIER 80.33 109.51 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.081 . . . . 4.4400000000000004 109.219 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 364' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -130.04 65.3 75.07 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.159 . . . . 3.5600000000000001 111.001 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . 0.598 ' HA ' ' CH2' ' A' ' 353' ' ' TRP . 18.5 Cg_endo -75.05 70.48 5.32 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.543 1.812 . . . . 2.1000000000000001 111.052 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 366' ' ' LYS . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 352' ' ' TYR . 6.9 mmtt -83.81 173.33 11.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 3.0299999999999998 109.331 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.84 131.09 37.01 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 3.0600000000000001 110.019 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 35.7 pt -63.72 -41.67 93.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 2.2999999999999998 109.3 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -54.39 -32.03 56.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 3.8399999999999999 109.611 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.72 -7.92 38.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 3.3599999999999999 109.963 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -156.93 45.26 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 6.7400000000000002 110.975 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 372' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -162.4 -51.05 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.49 1.119 . . . . 3.4700000000000002 111.022 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 373' ' ' PHE . . . . . 0.458 ' N ' ' HD3' ' A' ' 374' ' ' PRO . 1.6 t80 37.36 61.01 3.94 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.407 0.71 . . . . 8.6199999999999992 110.928 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 374' ' ' PRO . . . . . 0.458 ' HD3' ' N ' ' A' ' 373' ' ' PHE . 18.2 Cg_endo -75.0 -162.75 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.768 . . . . 2.79 110.995 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -86.66 -26.14 24.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 6.7000000000000002 109.276 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 169.17 80.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.59 1.181 . . . . 5.9500000000000002 110.972 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 377' ' ' VAL . . . . . . . . . . . . . 13.5 p -88.82 165.64 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 3.4500000000000002 109.28 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -174.36 -45.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.148 . . . . 3.8100000000000001 109.363 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.99 134.81 20.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 2.9199999999999999 109.348 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . 0.563 ' HB ' ' CE2' ' A' ' 347' ' ' PHE . 25.9 mt -101.58 147.23 8.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.515 1.134 . . . . 2.1200000000000001 109.34 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 381' ' ' ASP . . . . . 0.416 ' N ' HG21 ' A' ' 380' ' ' ILE . 6.0 m-20 -79.71 -50.06 11.16 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.581 1.176 . . . . 2.2599999999999998 109.336 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 382' ' ' ALA . . . . . 0.41 ' CB ' ' HA ' ' A' ' 431' ' ' ALA . . . -158.18 168.78 26.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 1.7 109.317 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -152.21 133.54 14.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 1.8700000000000001 109.268 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 4.1 p -144.75 154.58 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 3.1200000000000001 109.32 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -98.6 151.43 20.69 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.587 1.18 . . . . 2.3199999999999998 111.056 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -122.38 110.1 32.59 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 3.3500000000000001 109.222 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -9.99 20.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 1.76 110.907 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 1.5 tpt85 -73.59 -49.24 27.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 2.7200000000000002 110.256 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -119.2 18.05 13.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 5.1600000000000001 110.94 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 390' ' ' TYR . . . . . 0.432 ' CB ' ' HB3' ' A' ' 406' ' ' ARG . 24.8 m-85 43.68 36.14 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 3.7400000000000002 110.998 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -108.97 178.61 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 3.79 110.321 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 52.7 m -134.5 134.56 41.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 2.0800000000000001 110.422 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -95.52 127.83 41.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 3.3799999999999999 111.033 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -123.36 117.82 26.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 3.4700000000000002 110.975 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . 0.477 ' CD1' HG12 ' A' ' 418' ' ' ILE . 65.1 m-85 -100.61 131.0 46.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 1.71 111.001 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 396' ' ' VAL . . . . . 0.408 ' CG1' ' CZ3' ' A' ' 401' ' ' TRP . 14.5 p -145.99 133.03 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 4.1600000000000001 109.295 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 48.42 -152.28 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 3.8799999999999999 109.299 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -88.13 45.85 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 3.5099999999999998 109.355 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 399' ' ' GLN . . . . . 0.449 ' HB3' ' CZ3' ' A' ' 401' ' ' TRP . 0.1 OUTLIER -145.36 179.81 7.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 3.77 110.269 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 400' ' ' TYR . . . . . 0.594 ' CE1' ' O ' ' A' ' 401' ' ' TRP . 8.1 t80 -141.17 151.48 43.88 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.447 1.092 . . . . 3.9199999999999999 110.952 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' TRP . . . . . 0.594 ' O ' ' CE1' ' A' ' 400' ' ' TYR . 2.6 m-90 -139.95 165.02 28.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 7.0 108.007 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -149.26 108.45 3.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 3.4700000000000002 110.299 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -95.89 152.68 18.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.411 1.069 . . . . 6.0999999999999996 110.944 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.56 119.73 38.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 2.1000000000000001 109.266 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.58 -33.9 14.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 3.3599999999999999 110.247 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . 0.432 ' HB3' ' CB ' ' A' ' 390' ' ' TYR . 1.6 ppt_? -71.18 -34.4 70.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 6.8600000000000003 110.319 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 407' ' ' ARG . . . . . 0.461 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.0 OUTLIER -91.14 -40.89 11.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 3.2400000000000002 110.237 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . 0.461 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 5.3 tt0 83.57 40.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.097 . . . . 2.73 110.325 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 2.9 tpp -154.68 110.23 3.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 2.8599999999999999 110.933 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.53 140.04 14.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 3.9399999999999999 111.009 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.69 140.74 47.9 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 2.8900000000000001 109.289 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 107.83 2.57 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.512 1.796 . . . . 3.6400000000000001 110.946 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 47.86 93.02 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 2.3599999999999999 110.986 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 414' ' ' TYR . . . . . 0.527 ' CZ ' ' HG3' ' A' ' 416' ' ' LYS . 80.5 t80 -134.52 61.7 50.53 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 6.3399999999999999 111.007 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 415' ' ' PRO . . . . . 0.44 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -74.99 78.26 2.94 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.546 1.814 . . . . 1.6100000000000001 111.024 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . 0.527 ' HG3' ' CZ ' ' A' ' 414' ' ' TYR . 48.9 mmtt -100.57 -175.95 3.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 3.1299999999999999 109.288 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.74 157.24 45.43 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.526 1.141 . . . . 3.1400000000000001 109.352 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . 0.477 HG12 ' CD1' ' A' ' 395' ' ' PHE . 2.6 mp -60.11 -65.14 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 2.6699999999999999 109.263 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.31 -17.23 41.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 2.3300000000000001 110.427 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -70.82 -72.52 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 2.9199999999999999 109.305 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -70.26 -53.4 17.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 3.0299999999999998 109.318 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 422' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -98.05 103.85 15.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 5.7999999999999998 110.96 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -85.64 156.11 20.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 4.1200000000000001 110.276 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 92.25 -33.56 4.86 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.525 1.141 . . . . 1.6799999999999999 110.928 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 425' ' ' ILE . . . . . . . . . . . . . 4.3 mm -62.63 -72.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 0.771 . . . . 4.2599999999999998 109.292 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 142.36 -175.37 22.86 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 1.3200000000000001 110.969 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -40.72 0.85 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.551 1.816 . . . . 2.0499999999999998 111.066 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -117.64 130.35 56.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 3.96 109.289 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 429' ' ' ILE . . . . . 0.402 ' O ' ' CG ' ' A' ' 381' ' ' ASP . 7.1 tp -116.24 139.78 41.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 3.04 109.347 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.77 -83.56 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 2.71 109.251 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . 0.41 ' HA ' ' CB ' ' A' ' 382' ' ' ALA . . . -129.94 166.11 20.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 1.9099999999999999 109.334 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.523 HG22 ' CE2' ' A' ' 442' ' ' PHE . 2.9 p -160.03 150.43 6.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 2.9199999999999999 109.271 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 441' ' ' TYR . 4.6 p90 -148.64 166.12 29.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 5.0499999999999998 110.968 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -114.3 112.34 22.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 4.0 110.999 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 436' ' ' LYS . 60.5 p -134.39 83.42 2.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 3.6099999999999999 110.037 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' LYS . . . . . 0.524 ' HD3' ' CD1' ' A' ' 439' ' ' TYR . 1.8 mttt 169.82 -162.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 6.2999999999999998 109.303 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -95.21 -34.07 12.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 5.7000000000000002 109.314 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . 0.467 ' HA ' ' CE ' ' A' ' 438' ' ' LYS . 0.0 OUTLIER -161.36 62.6 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.123 . . . . 4.8899999999999997 109.273 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' TYR . . . . . 0.524 ' CD1' ' HD3' ' A' ' 436' ' ' LYS . 3.1 m-85 -146.96 163.19 36.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 4.25 111.05 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' TYR . . . . . 0.552 ' HB3' ' CE1' ' A' ' 442' ' ' PHE . 52.0 m-85 -132.02 125.37 31.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.176 . . . . 4.7699999999999996 111.021 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' TYR . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 433' ' ' PHE . 26.9 m-85 -105.02 106.01 16.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 3.8999999999999999 111.033 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . 0.552 ' CE1' ' HB3' ' A' ' 440' ' ' TYR . 90.5 m-85 -99.71 164.76 11.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 4.6600000000000001 110.983 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 444' ' ' GLN . 0.1 OUTLIER -144.81 139.59 27.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 7.1600000000000001 111.032 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . 0.418 ' N ' ' CD1' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -158.05 97.59 1.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 4.2699999999999996 110.348 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 107.51 -69.07 0.22 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 1.95 111.003 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 1.3 m 179.3 41.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 3.1200000000000001 110.001 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -147.22 132.94 18.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 3.4300000000000002 109.256 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' GLN . . . . . 0.469 ' O ' ' CD2' ' A' ' 462' ' ' LEU . 1.8 pt20 -118.14 85.33 2.33 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.511 1.132 . . . . 4.7599999999999998 110.256 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' PHE . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 442' ' ' PHE . 33.1 p90 -81.93 165.28 20.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 6.8200000000000003 110.97 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . 0.514 ' HG3' ' CE2' ' A' ' 441' ' ' TYR . 0.1 OUTLIER -98.52 164.08 12.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 3.8599999999999999 110.289 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -152.42 126.45 9.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 3.9199999999999999 110.978 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -99.4 128.93 45.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 3.7799999999999998 109.26 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -78.25 4.98 11.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 5.6200000000000001 110.98 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 45.0 tp -89.17 5.69 43.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.435 1.084 . . . . 5.04 109.272 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.475 ' O ' ' CB ' ' A' ' 456' ' ' GLN . 0.7 OUTLIER -171.72 -38.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 4.1500000000000004 109.277 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . 0.475 ' CB ' ' O ' ' A' ' 455' ' ' LEU . 1.6 mt-30 84.26 64.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 4.0599999999999996 110.288 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' ARG . . . . . 0.437 ' HB2' ' CD1' ' A' ' 455' ' ' LEU . 0.1 OUTLIER -146.1 143.67 29.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 7.2400000000000002 110.302 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' ILE . . . . . 0.503 HD12 ' CD1' ' A' ' 449' ' ' PHE . 91.5 mt -80.49 137.44 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 3.1000000000000001 109.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 34.7 p -120.19 -42.52 2.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 3.6499999999999999 110.399 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt -109.44 141.51 41.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 4.8300000000000001 109.324 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 21.8 p -142.31 78.65 1.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 2.9100000000000001 110.408 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' LEU . . . . . 0.469 ' CD2' ' O ' ' A' ' 448' ' ' GLN . 1.9 pt? -97.42 172.2 7.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.084 . . . . 2.79 109.322 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -95.03 144.75 25.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 4.29 109.301 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.42 ' OG ' ' CE2' ' A' ' 288' ' ' PHE . 4.0 t -40.79 -43.78 2.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 2.1200000000000001 109.989 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -99.11 70.74 1.8 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.516 1.135 . . . . 4.1299999999999999 109.277 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 9.1 t -110.65 -20.56 12.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 3.04 109.965 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -91.16 -47.72 7.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 6.29 108.015 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 468' ' ' PHE . . . . . 0.591 ' CZ ' ' O ' ' A' ' 281' ' ' LEU . 9.2 t80 -39.87 -37.62 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 8.6099999999999994 111.067 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 120.68 36.4 0.78 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.441 1.088 . . . . 2.9500000000000002 111.003 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 470' ' ' CYS . . . . . 1.127 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 N-CA-C 108.284 -1.006 . . . . 3.5800000000000001 108.284 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 471' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 277' ' ' MET . . . . . . . . . . . . . 5.3 mtt . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.523 0.202 . . . . 11.380000000000001 111.053 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.89 165.76 0.25 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 7.2699999999999996 110.335 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 53.64 3.42 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.515 1.797 . . . . 5.0999999999999996 110.969 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 280' ' ' ALA . . . . . . . . . . . . . . . -60.62 131.37 50.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 3.3700000000000001 109.259 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 281' ' ' LEU . . . . . 0.564 HD22 ' CH2' ' A' ' 307' ' ' TRP . 1.0 OUTLIER -74.34 -42.57 59.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 4.2400000000000002 109.305 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 282' ' ' CYS . . . . . 1.151 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 53.2 m -84.38 69.31 10.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 3.1600000000000001 108.25 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -177.31 110.06 0.23 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 4.1699999999999999 109.325 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 60.89 5.57 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.405 1.74 . . . . 2.1099999999999999 111.046 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 285' ' ' ASN . . . . . 0.441 ' ND2' ' N ' ' A' ' 285' ' ' ASN . 0.0 OUTLIER -161.92 48.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 4.8600000000000003 109.242 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 14.6 mt -93.32 128.38 39.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 4.6799999999999997 109.312 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 287' ' ' SER . . . . . 0.408 ' O ' ' CE ' ' A' ' 302' ' ' LYS . 2.8 t -115.29 148.38 39.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 3.3500000000000001 109.996 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 288' ' ' PHE . . . . . 0.521 ' CD1' ' CD2' ' A' ' 443' ' ' PHE . 21.4 m-85 -121.42 168.15 12.0 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.566 1.166 . . . . 3.9300000000000002 111.053 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 289' ' ' ASP . . . . . 0.594 ' O ' 'CA ' ' A' ' 471' ' ' ' CA' . 5.0 m-20 -126.09 -53.21 1.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.579 1.174 . . . . 3.2400000000000002 109.242 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -137.85 137.15 37.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 2.0800000000000001 109.259 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 291' ' ' VAL . . . . . 0.556 HG11 ' CE1' ' A' ' 443' ' ' PHE . 6.1 m -135.46 135.68 51.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 3.25 109.338 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 11.8 t -155.29 153.4 30.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 2.1000000000000001 110.413 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 10.5 t -131.82 158.32 41.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 3.6400000000000001 110.35 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 70.9 t -147.96 95.86 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 2.9900000000000002 109.379 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 88.29 -118.01 4.97 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 1.75 110.983 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -107.54 5.67 27.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 4.9400000000000004 109.31 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -110.37 136.44 49.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 3.7000000000000002 109.255 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 16.5 pt -112.57 129.74 67.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 3.3399999999999999 109.293 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -106.28 126.73 52.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 3.8500000000000001 111.031 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 300' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -119.32 119.56 34.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 4.0199999999999996 110.98 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -96.0 134.46 39.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 3.1099999999999999 110.989 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 302' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 304' ' ' ARG . 0.0 OUTLIER -131.9 89.24 2.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 3.7000000000000002 109.274 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 56.71 -87.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 4.6699999999999999 109.324 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 304' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 302' ' ' LYS . 0.2 OUTLIER -118.39 -19.89 8.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 5.2000000000000002 110.291 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . 0.569 ' CD2' HG11 ' A' ' 318' ' ' VAL . 2.6 m-85 -87.45 140.18 29.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 6.1900000000000004 110.988 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 306' ' ' PHE . . . . . 0.438 ' CB ' ' O ' ' A' ' 319' ' ' ASN . 0.5 OUTLIER -106.2 108.99 20.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 6.04 110.974 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 307' ' ' TRP . . . . . 0.564 ' CH2' HD22 ' A' ' 281' ' ' LEU . 0.0 OUTLIER -84.27 138.67 32.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 7.2000000000000002 108.008 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 13.0 tp -143.3 127.54 17.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 3.9500000000000002 109.338 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 309' ' ' LYS . . . . . 0.449 ' CE ' ' HA ' ' A' ' 468' ' ' PHE . 3.7 tptt -153.76 93.89 1.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 3.2999999999999998 109.326 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . . . . . . . . . 1.2 p -174.33 -179.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 2.8900000000000001 109.35 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 311' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 312' ' ' GLU . 11.6 t 44.41 88.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 5.1900000000000004 109.994 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 312' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 311' ' ' SER . 2.1 tt0 37.03 73.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 5.4400000000000004 110.335 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.07 118.86 19.54 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 5.0800000000000001 110.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -33.03 4.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.526 1.803 . . . . 2.48 111.007 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -143.15 168.11 20.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 5.3799999999999999 109.308 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 316' ' ' THR . . . . . 0.616 ' CG2' ' CD1' ' A' ' 468' ' ' PHE . 12.7 p -75.3 170.1 16.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 2.25 110.419 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.52 172.08 11.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 2.8199999999999998 110.002 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 318' ' ' VAL . . . . . 0.569 HG11 ' CD2' ' A' ' 305' ' ' PHE . 40.4 t -132.22 94.15 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 2.9399999999999999 109.251 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . 0.438 ' O ' ' CB ' ' A' ' 306' ' ' PHE . 1.6 m120 -103.61 -179.95 4.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 3.79 109.277 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . 0.45 ' HB3' ' CB ' ' A' ' 323' ' ' SER . 0.1 OUTLIER -136.77 139.33 41.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 3.3999999999999999 109.28 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 321' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 324' ' ' LEU . 3.9 mp -59.13 -73.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 2.1600000000000001 109.241 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 5.6 m -44.92 -39.68 5.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 3.3399999999999999 109.983 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 323' ' ' SER . . . . . 0.45 ' CB ' ' HB3' ' A' ' 320' ' ' LEU . 29.1 t -55.42 -36.03 66.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 1.8799999999999999 110.097 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 321' ' ' ILE . 4.1 mm? -102.81 -79.78 0.52 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 4.4000000000000004 109.311 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -52.09 151.54 6.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 1.8100000000000001 108.007 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -89.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.483 1.78 . . . . 1.0900000000000001 110.998 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 327' ' ' THR . . . . . 0.492 ' O ' ' CD2' ' A' ' 328' ' ' LEU . 1.2 m -93.88 91.22 6.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 3.5800000000000001 110.35 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 327' ' ' THR . 1.5 mm? -145.41 130.79 9.28 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 2.4199999999999999 109.255 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 329' ' ' PRO . . . . . 0.441 ' CB ' ' HG2' ' A' ' 348' ' ' LYS . 18.3 Cg_endo -75.02 176.83 9.4 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.446 1.761 . . . . 1.95 110.972 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 4.7 m -115.19 154.08 29.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 2.73 110.009 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 74.53 49.15 11.83 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.107 . . . . 1.5700000000000001 110.946 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 14.5 mt -49.11 136.48 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.447 0.733 . . . . 3.0699999999999998 109.287 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -85.0 -40.72 16.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 2.73 110.303 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -160.63 133.4 6.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 1.95 109.329 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . 0.436 ' CB ' HD12 ' A' ' 346' ' ' LEU . . . -132.34 142.53 49.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 2.1000000000000001 109.19 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 336' ' ' TYR . . . . . 0.538 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 3.9 p90 -154.9 126.69 7.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 4.1699999999999999 111.036 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -110.67 151.85 27.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 5.2800000000000002 110.302 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . 0.558 HD11 ' CE2' ' A' ' 385' ' ' PHE . 11.4 mm -129.97 115.85 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 4.4299999999999997 109.257 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -62.59 -39.32 93.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 3.9500000000000002 110.338 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -57.29 -52.07 66.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 2.5800000000000001 109.298 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.65 -24.76 58.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.586 1.179 . . . . 6.8399999999999999 110.31 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 1.2 t30 59.61 39.23 21.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 2.6800000000000002 109.237 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -124.87 177.77 5.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 3.2999999999999998 110.356 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 344' ' ' VAL . . . . . . . . . . . . . 52.2 t -143.32 117.33 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 2.3900000000000001 109.385 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 345' ' ' PHE . . . . . 0.474 ' HB2' ' CE1' ' A' ' 336' ' ' TYR . 8.4 m-85 -109.62 134.92 51.37 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.119 . . . . 3.9199999999999999 110.987 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . 0.436 HD12 ' CB ' ' A' ' 335' ' ' ALA . 0.7 OUTLIER -132.23 124.57 29.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 3.75 109.324 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 347' ' ' PHE . . . . . 0.468 ' CE2' ' CE1' ' A' ' 352' ' ' TYR . 6.1 m-85 -99.11 141.1 32.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 3.48 111.046 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 348' ' ' LYS . . . . . 0.441 ' HG2' ' CB ' ' A' ' 329' ' ' PRO . 0.0 OUTLIER -153.54 114.1 4.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 4.2300000000000004 109.308 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 3.1 t0 50.15 -149.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 3.3399999999999999 109.232 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 350' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 1.9 p-10 -86.25 40.44 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 3.6899999999999999 109.316 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -141.26 140.7 33.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 3.3799999999999999 109.297 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 352' ' ' TYR . . . . . 0.566 ' CE2' HG23 ' A' ' 368' ' ' ILE . 0.1 OUTLIER -102.59 152.45 21.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 5.8300000000000001 111.053 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -155.63 127.06 7.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 5.4100000000000001 108.064 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 354' ' ' LEU . . . . . 0.42 ' O ' ' CB ' ' A' ' 360' ' ' PRO . 0.1 OUTLIER -126.84 135.04 50.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 3.3999999999999999 109.283 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 3.3 mp -96.67 109.63 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 2.6699999999999999 109.31 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 356' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 358' ' ' LEU . 11.1 t -89.73 106.63 18.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 2.3700000000000001 109.966 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 68.82 -65.35 0.29 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 4.7599999999999998 109.257 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 356' ' ' SER . 0.2 OUTLIER -144.15 -52.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 6.3200000000000003 109.343 179.919 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 2.1 tpt85 -93.14 128.03 44.71 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 8.5800000000000001 110.333 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 360' ' ' PRO . . . . . 0.47 ' HG3' ' CD2' ' A' ' 328' ' ' LEU . 18.0 Cg_endo -74.99 -171.36 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.512 1.796 . . . . 1.8300000000000001 110.983 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -79.73 126.32 80.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 2.3399999999999999 110.348 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 362' ' ' PRO . . . . . 0.569 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.3 Cg_endo -74.91 91.07 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 2.2000000000000002 110.995 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 363' ' ' ASN . . . . . 0.569 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 2.1 t-20 87.03 73.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 4.46 109.349 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 364' ' ' TYR . . . . . 0.575 ' CE2' ' HD3' ' A' ' 366' ' ' LYS . 0.2 OUTLIER -135.08 57.01 18.35 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 3.4300000000000002 110.993 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . 0.539 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -75.01 54.77 3.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.549 1.815 . . . . 1.73 111.004 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 366' ' ' LYS . . . . . 0.575 ' HD3' ' CE2' ' A' ' 364' ' ' TYR . 0.2 OUTLIER -51.61 144.94 9.81 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.459 1.099 . . . . 2.7000000000000002 109.284 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 367' ' ' SER . . . . . 0.408 ' HB2' ' ND1' ' A' ' 369' ' ' HIS . 51.6 p -95.33 109.65 21.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 4.6600000000000001 109.961 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . 0.566 HG23 ' CE2' ' A' ' 352' ' ' TYR . 5.0 pt -51.64 -22.02 2.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 2.29 109.308 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 369' ' ' HIS . . . . . 0.476 ' C ' ' CD2' ' A' ' 369' ' ' HIS . 0.4 OUTLIER -65.53 -14.48 61.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 4.5700000000000003 109.593 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 370' ' ' SER . . . . . 0.534 ' O ' ' CD2' ' A' ' 371' ' ' PHE . 17.7 t -66.83 -15.21 63.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 4.5499999999999998 109.986 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 371' ' ' PHE . . . . . 0.534 ' CD2' ' O ' ' A' ' 370' ' ' SER . 0.3 OUTLIER 161.44 -27.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 7.8099999999999996 110.961 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 372' ' ' GLY . . . . . 0.579 ' O ' ' CD2' ' A' ' 373' ' ' PHE . . . -62.94 -12.51 43.24 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.597 1.185 . . . . 6.9699999999999998 111.038 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 373' ' ' PHE . . . . . 0.579 ' CD2' ' O ' ' A' ' 372' ' ' GLY . 7.1 m-85 -177.66 168.93 1.06 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.5 0.765 . . . . 13.789999999999999 110.932 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 374' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -178.2 3.99 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.471 1.774 . . . . 4.8600000000000003 111.015 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -86.8 73.58 9.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 10.449999999999999 109.356 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -178.34 -49.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 5.8399999999999999 110.991 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 377' ' ' VAL . . . . . 0.56 HG22 ' CD1' ' A' ' 373' ' ' PHE . 4.4 t -43.87 163.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 2.9700000000000002 109.275 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 378' ' ' LYS . . . . . 0.495 ' N ' ' CG1' ' A' ' 377' ' ' VAL . 7.9 mtpt -170.4 -40.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 4.8799999999999999 109.317 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 9.6 pttt -124.61 119.52 29.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 2.8500000000000001 109.27 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . 0.544 HG12 ' CZ ' ' A' ' 373' ' ' PHE . 1.7 mt -100.14 155.84 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 2.9199999999999999 109.288 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.33 -46.58 7.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 2.3199999999999998 109.246 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -163.88 162.49 23.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 2.1400000000000001 109.287 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -148.98 132.54 16.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 1.9199999999999999 109.306 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 10.2 p -132.03 153.48 38.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 3.9900000000000002 109.307 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 385' ' ' PHE . . . . . 0.558 ' CE2' HD11 ' A' ' 338' ' ' ILE . 18.6 t80 -122.56 145.85 47.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 2.52 110.978 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -126.33 111.32 23.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 2.6800000000000002 109.278 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -13.73 21.43 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.492 1.785 . . . . 2.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 2.4 tpt85 -82.75 -37.19 24.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 2.9199999999999999 110.312 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -103.13 -6.2 22.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 3.9300000000000002 110.964 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 53.73 42.66 31.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 4.5700000000000003 110.99 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -144.49 142.71 30.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 3.9700000000000002 110.281 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 4.8 m -110.02 123.42 49.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 2.0899999999999999 110.415 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . 0.518 ' CD1' ' N ' ' A' ' 393' ' ' TYR . 3.2 m-30 -83.27 134.61 34.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 2.5299999999999998 110.962 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -121.59 108.55 13.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 3.1400000000000001 111.013 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . 0.52 ' CD1' HG21 ' A' ' 418' ' ' ILE . 42.4 m-85 -88.87 122.49 32.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 1.4199999999999999 111.008 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 67.1 t -138.17 124.51 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 2.6699999999999999 109.341 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 51.81 -152.92 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 3.5 109.351 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -85.22 49.86 1.83 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 4.2800000000000002 109.334 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -150.15 169.64 20.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 3.3900000000000001 110.274 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -137.64 145.53 42.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 4.2400000000000002 111.027 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -130.22 174.19 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.969 -1.123 . . . . 5.7199999999999998 107.969 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -152.82 115.3 4.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.098 . . . . 5.0800000000000001 110.349 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 403' ' ' TYR . . . . . 0.464 ' CE2' ' OE2' ' A' ' 405' ' ' GLU . 9.5 t80 -106.71 139.19 41.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 5.7999999999999998 110.998 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -88.4 139.82 30.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.431 1.082 . . . . 2.75 109.297 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . 0.464 ' OE2' ' CE2' ' A' ' 403' ' ' TYR . 17.9 mm-40 -104.76 -43.59 5.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 4.2300000000000004 110.287 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.23 -38.28 86.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 6.9900000000000002 110.333 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 407' ' ' ARG . . . . . 0.414 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.2 OUTLIER -92.42 -40.6 10.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 4.2000000000000002 110.296 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . 0.414 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 0.1 OUTLIER 80.45 32.52 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 3.54 110.309 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 15.4 ttt -132.29 107.21 8.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 5.6600000000000001 110.96 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.74 150.74 40.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 2.8999999999999999 111.021 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.37 170.22 3.94 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 3.8500000000000001 109.267 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -65.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.549 1.815 . . . . 3.9500000000000002 111.008 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . -120.04 -53.12 0.26 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.458 1.099 . . . . 3.6000000000000001 111.012 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 414' ' ' TYR . . . . . 0.493 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 25.2 t80 40.0 62.96 5.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.747 . . . . 3.2599999999999998 110.955 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 415' ' ' PRO . . . . . 0.425 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -75.0 80.32 2.46 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.485 1.782 . . . . 2.1099999999999999 110.984 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . 0.493 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 19.7 mmtt -101.51 -173.4 2.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 3.5699999999999998 109.264 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.0 mt -133.07 149.89 52.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 3.3100000000000001 109.331 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . 0.52 HG21 ' CD1' ' A' ' 395' ' ' PHE . 0.9 OUTLIER -68.79 -47.12 77.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 2.8100000000000001 109.264 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 6.6 t -70.01 -25.29 63.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 2.3999999999999999 110.332 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -69.8 -64.01 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 2.48 109.293 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -51.38 -54.75 23.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 3.1200000000000001 109.331 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 422' ' ' PHE . . . . . 0.494 ' O ' ' CD1' ' A' ' 425' ' ' ILE . 43.6 m-85 -121.26 109.88 15.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 3.9100000000000001 110.972 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -98.15 71.29 2.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 2.75 110.29 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . 0.409 ' C ' HG21 ' A' ' 425' ' ' ILE . . . -160.79 24.49 0.26 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.132 . . . . 1.9099999999999999 111.006 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 425' ' ' ILE . . . . . 0.57 ' CG2' ' CZ ' ' A' ' 442' ' ' PHE . 0.2 OUTLIER -147.24 -48.18 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.503 0.767 . . . . 3.3300000000000001 109.279 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 426' ' ' GLY . . . . . 0.428 ' N ' HG12 ' A' ' 425' ' ' ILE . . . 130.34 179.67 16.22 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.453 1.095 . . . . 1.2 111.053 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -29.36 8.31 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.517 1.798 . . . . 1.5700000000000001 110.974 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.17 139.3 47.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 3.3500000000000001 109.23 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.33 167.46 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 2.6600000000000001 109.294 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 430' ' ' ASP . 0.2 OUTLIER -112.72 -50.52 2.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 2.9300000000000002 109.346 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -153.62 149.22 27.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 2.0600000000000001 109.278 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 55.9 t -138.66 135.74 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.603 1.189 . . . . 4.1299999999999999 109.285 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' PHE . . . . . 0.503 ' CE2' ' HB3' ' A' ' 435' ' ' SER . 11.5 t80 -153.61 176.53 11.97 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.504 1.127 . . . . 8.4600000000000009 110.978 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' TYR . . . . . 0.612 ' O ' ' CD2' ' A' ' 434' ' ' TYR . 16.6 p90 -128.44 60.27 1.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 8.3599999999999994 111.026 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' SER . . . . . 0.503 ' HB3' ' CE2' ' A' ' 433' ' ' PHE . 94.8 p -89.57 96.55 10.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 4.4299999999999997 110.005 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? 173.37 -156.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 4.46 109.296 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -87.64 -28.96 21.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 4.1100000000000003 109.277 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . 0.41 ' O ' ' CG ' ' A' ' 438' ' ' LYS . 0.0 OUTLIER 176.37 65.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 3.9399999999999999 109.312 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -152.44 171.0 18.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 3.2799999999999998 111.046 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -119.69 118.18 30.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 4.4400000000000004 110.977 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' TYR . . . . . 0.552 ' CD1' ' HG3' ' A' ' 450' ' ' GLU . 0.9 OUTLIER -107.68 129.97 54.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 3.3199999999999998 111.002 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . 0.57 ' CZ ' ' CG2' ' A' ' 425' ' ' ILE . 0.1 OUTLIER -138.16 163.37 31.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 6.3200000000000003 110.978 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' PHE . . . . . 0.594 ' CZ ' ' OE1' ' A' ' 448' ' ' GLN . 44.2 m-85 -123.03 123.67 41.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 5.9800000000000004 110.989 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . 0.418 ' O ' ' ND2' ' A' ' 447' ' ' ASN . 0.1 OUTLIER -135.41 60.05 1.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 4.8099999999999996 110.317 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' GLY . . . . . 0.401 ' O ' ' ND2' ' A' ' 447' ' ' ASN . . . 89.89 82.88 1.35 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.566 1.167 . . . . 3.8999999999999999 111.03 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 17.7 p 41.05 43.12 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.771 . . . . 2.3799999999999999 110.047 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' ASN . . . . . 0.552 ' HB3' ' CD1' ' A' ' 449' ' ' PHE . 77.7 m-20 -132.88 110.18 10.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 2.3700000000000001 109.325 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' GLN . . . . . 0.594 ' OE1' ' CZ ' ' A' ' 443' ' ' PHE . 6.7 tp60 -103.52 63.49 0.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 3.77 110.296 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' PHE . . . . . 0.552 ' CD1' ' HB3' ' A' ' 447' ' ' ASN . 8.9 m-85 -80.38 152.47 28.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 3.5899999999999999 110.973 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . 0.552 ' HG3' ' CD1' ' A' ' 441' ' ' TYR . 6.0 tt0 -116.43 163.08 16.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 3.7799999999999998 110.306 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' TYR . . . . . 0.49 ' CE1' ' HA ' ' A' ' 456' ' ' GLN . 2.1 t80 -145.47 137.26 25.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 3.9100000000000001 110.926 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -107.0 137.59 44.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 4.1900000000000004 109.315 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -89.07 8.14 31.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 6.0999999999999996 110.985 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 28.7 tp -107.85 -15.98 14.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 5.8899999999999997 109.337 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.448 ' O ' ' CB ' ' A' ' 456' ' ' GLN . 67.6 mt -133.65 -44.35 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 5.2699999999999996 109.28 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . 0.49 ' HA ' ' CE1' ' A' ' 451' ' ' TYR . 1.5 mt-30 82.43 34.79 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 4.1799999999999997 110.331 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -117.34 178.56 4.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 4.6900000000000004 110.358 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 71.3 mt -113.33 114.52 47.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 2.4900000000000002 109.281 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 12.2 p -114.21 12.7 17.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 3.96 110.444 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -146.79 125.07 12.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 3.8199999999999998 109.279 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 461' ' ' THR . 1.4 m -141.94 59.57 1.48 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.469 1.106 . . . . 3.3999999999999999 110.395 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 466' ' ' SER . 2.0 pt? -106.52 161.42 14.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 3.0699999999999998 109.29 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -90.73 150.83 21.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 5.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -42.25 -37.32 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 2.7000000000000002 110.035 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 49.4 p30 -87.63 59.64 5.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 3.7599999999999998 109.284 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 466' ' ' SER . . . . . 0.542 ' O ' ' CG ' ' A' ' 467' ' ' TRP . 22.7 t -139.87 50.57 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 3.3599999999999999 109.999 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 467' ' ' TRP . . . . . 0.542 ' CG ' ' O ' ' A' ' 466' ' ' SER . 50.2 m95 -164.65 -44.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 4.8799999999999999 107.994 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 468' ' ' PHE . . . . . 0.616 ' CD1' ' CG2' ' A' ' 316' ' ' THR . 9.2 m-85 -69.62 -30.0 67.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 7.7199999999999998 110.988 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 109.79 61.76 0.51 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.492 1.12 . . . . 3.0299999999999998 111.044 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 470' ' ' CYS . . . . . 1.151 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 N-CA-C 108.315 -0.994 . . . . 3.2599999999999998 108.315 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 471' ' ' ' CA' . . . . . 0.594 'CA ' ' O ' ' A' ' 289' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 277' ' ' MET . . . . . 0.425 ' O ' ' C ' ' A' ' 278' ' ' GLU . 10.2 tmm? . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 120.525 0.203 . . . . 7.1799999999999997 111.028 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 277' ' ' MET . 2.5 tp10 -37.17 100.86 0.21 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.417 1.073 . . . . 7.1200000000000001 110.258 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.1 -161.57 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 3.8900000000000001 110.995 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 280' ' ' ALA . . . . . 0.405 ' N ' HD23 ' A' ' 286' ' ' LEU . . . 174.24 107.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 3.6000000000000001 109.292 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 281' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 282' ' ' CYS . 21.9 mt -97.03 59.95 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 3.3399999999999999 109.262 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 282' ' ' CYS . . . . . 1.058 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 0.8 OUTLIER 160.95 48.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 3.1000000000000001 108.32 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -175.47 130.33 0.41 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 3.1899999999999999 109.319 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 84.71 1.62 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.458 1.767 . . . . 2.02 111.0 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -170.47 32.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 3.1800000000000002 109.319 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 286' ' ' LEU . . . . . 0.506 ' CD1' ' CH2' ' A' ' 307' ' ' TRP . 0.3 OUTLIER -101.22 127.08 47.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 3.9100000000000001 109.309 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.77 178.11 4.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.12 . . . . 4.0199999999999996 109.995 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 288' ' ' PHE . . . . . 0.449 ' CD2' ' CD1' ' A' ' 443' ' ' PHE . 51.4 m-85 -147.06 143.85 28.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 3.1299999999999999 111.044 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.2 -64.99 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 2.7400000000000002 109.3 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -132.26 139.89 48.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 1.9199999999999999 109.307 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 291' ' ' VAL . . . . . . . . . . . . . 2.8 p -147.34 140.32 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 3.5299999999999998 109.278 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 292' ' ' THR . . . . . 0.454 ' HB ' ' CB ' ' A' ' 335' ' ' ALA . 4.5 t -135.86 164.64 27.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 2.1099999999999999 110.397 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 38.5 p -120.0 131.67 55.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 4.1399999999999997 110.431 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 47.4 t -117.86 71.6 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 2.48 109.307 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 89.22 -101.97 2.83 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.428 1.08 . . . . 2.2000000000000002 111.035 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -113.87 10.78 17.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 3.77 109.331 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.39 178.0 4.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 4.1200000000000001 109.307 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 298' ' ' ILE . . . . . 0.441 ' C ' ' CD1' ' A' ' 299' ' ' PHE . 2.2 pt -143.93 151.35 16.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 2.48 109.305 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 299' ' ' PHE . . . . . 0.541 ' CE2' HD23 ' A' ' 308' ' ' LEU . 16.9 m-85 -140.11 142.6 36.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 4.1200000000000001 111.04 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 300' ' ' PHE . . . . . 0.437 ' CD1' ' N ' ' A' ' 300' ' ' PHE . 4.6 m-85 -130.23 136.53 49.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 3.9199999999999999 110.953 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 301' ' ' PHE . . . . . 0.573 ' CE2' HG13 ' A' ' 332' ' ' ILE . 69.7 m-85 -107.61 60.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 3.9300000000000002 111.005 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 302' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 301' ' ' PHE . 0.1 OUTLIER -36.16 -76.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 4.2400000000000002 109.305 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.67 -77.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 3.8500000000000001 109.297 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.17 -13.16 14.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 6.7000000000000002 110.332 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -114.65 156.03 25.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 3.2799999999999998 111.003 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 306' ' ' PHE . . . . . 0.587 ' CD1' ' O ' ' A' ' 306' ' ' PHE . 11.0 p90 -120.69 133.18 55.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 2.3300000000000001 111.013 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 307' ' ' TRP . . . . . 0.573 ' CZ3' ' CE1' ' A' ' 468' ' ' PHE . 22.0 m0 -88.49 135.26 33.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 6.2999999999999998 108.006 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . 0.541 HD23 ' CE2' ' A' ' 299' ' ' PHE . 0.4 OUTLIER -135.79 88.3 2.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 3.02 109.306 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 309' ' ' LYS . . . . . 0.477 ' CE ' ' HA ' ' A' ' 468' ' ' PHE . 1.3 ttpt -132.5 106.28 7.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 4.1299999999999999 109.296 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . 0.426 ' O ' ' HB3' ' A' ' 311' ' ' SER . 13.8 p -175.72 170.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 3.04 109.3 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 311' ' ' SER . . . . . 0.426 ' HB3' ' O ' ' A' ' 310' ' ' VAL . 46.8 t 68.17 -80.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 4.7199999999999998 109.991 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 312' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 314' ' ' PRO . 11.6 mm-40 -126.48 -43.11 1.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 4.3600000000000003 110.311 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 313' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 312' ' ' GLU . 13.3 mtt85 -36.4 97.42 0.13 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 5.0199999999999996 110.28 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 314' ' ' PRO . . . . . 0.438 ' N ' ' O ' ' A' ' 312' ' ' GLU . 18.3 Cg_endo -74.96 -25.05 12.3 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 3.6800000000000002 110.978 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -116.74 144.08 44.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 3.5099999999999998 109.3 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 316' ' ' THR . . . . . 0.449 HG21 ' CE ' ' A' ' 309' ' ' LYS . 18.8 p -75.14 165.04 25.84 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.531 1.145 . . . . 1.96 110.409 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.05 166.8 12.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 2.5899999999999999 109.984 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 73.4 t -144.38 68.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 2.6099999999999999 109.309 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -107.72 173.35 6.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 2.3199999999999998 109.314 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.33 153.2 20.08 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.486 1.116 . . . . 2.7200000000000002 109.251 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 321' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 322' ' ' SER . 1.8 mt -69.85 -75.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 2.02 109.273 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 322' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 321' ' ' ILE . 14.9 m -37.64 -41.22 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 3.0699999999999998 109.983 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.28 -33.29 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 2.7000000000000002 109.983 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.44 -80.4 0.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 2.8700000000000001 109.278 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -55.6 150.22 26.59 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 107.976 -1.12 . . . . 3.1699999999999999 107.976 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -79.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.525 1.803 . . . . 1.3799999999999999 111.019 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 327' ' ' THR . . . . . 0.46 ' O ' ' CD2' ' A' ' 328' ' ' LEU . 8.3 t -100.37 93.64 5.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 2.4199999999999999 110.38 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . 0.46 ' CD2' ' O ' ' A' ' 327' ' ' THR . 2.8 mm? -140.8 137.36 17.14 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 2.2799999999999998 109.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 329' ' ' PRO . . . . . 0.406 ' HD2' ' CD1' ' A' ' 328' ' ' LEU . 18.3 Cg_endo -75.03 161.82 38.07 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.499 1.789 . . . . 2.25 110.981 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 11.3 p -112.82 154.48 26.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 2.7799999999999998 110.007 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 62.23 53.57 41.31 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.475 1.109 . . . . 1.47 110.958 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.573 HG13 ' CE2' ' A' ' 301' ' ' PHE . 45.8 mm -53.46 138.34 12.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.42 0.718 . . . . 3.3500000000000001 109.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.13 -39.63 17.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.093 . . . . 3.7000000000000002 110.245 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -152.68 122.78 7.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 1.77 109.326 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . 0.454 ' CB ' ' HB ' ' A' ' 292' ' ' THR . . . -102.25 126.65 49.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 1.9099999999999999 109.375 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 336' ' ' TYR . . . . . 0.423 ' HB2' ' CB ' ' A' ' 383' ' ' ALA . 0.7 OUTLIER -142.33 99.3 3.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 4.2599999999999998 110.977 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.5 159.64 30.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 3.8900000000000001 110.318 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . . . . . . . . . 32.5 mt -127.73 130.44 70.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 4.1699999999999999 109.331 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -72.47 -39.09 68.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 3.96 110.335 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -60.99 -34.82 75.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 3.4500000000000002 109.263 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.54 -21.33 30.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 4.0999999999999996 110.287 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 59.48 36.19 22.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 3.25 109.218 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -129.73 179.48 5.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.586 1.178 . . . . 4.4100000000000001 110.315 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 344' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 345' ' ' PHE . 56.7 t -145.81 142.73 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 2.7599999999999998 109.308 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 345' ' ' PHE . . . . . 0.412 ' N ' HG13 ' A' ' 344' ' ' VAL . 0.2 OUTLIER -145.11 91.7 2.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 5.5199999999999996 110.918 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . 0.568 HD22 ' CZ ' ' A' ' 301' ' ' PHE . 15.9 mt -84.28 162.0 20.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 3.6699999999999999 109.308 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -121.96 140.09 52.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 3.1899999999999999 110.973 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 348' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -157.83 115.22 2.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.452 1.095 . . . . 5.3899999999999997 109.346 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 52.28 -152.15 0.26 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.577 1.173 . . . . 3.1499999999999999 109.316 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 350' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -86.23 44.46 1.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 2.9700000000000002 109.326 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -155.02 151.45 28.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 3.2799999999999998 109.301 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 352' ' ' TYR . . . . . 0.519 ' C ' ' CD1' ' A' ' 352' ' ' TYR . 3.2 p90 -139.11 146.29 40.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 4.8799999999999999 111.012 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -110.07 144.69 38.29 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.024 -1.102 . . . . 5.54 108.024 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 354' ' ' LEU . . . . . . . . . . . . . 5.2 tp -108.92 137.68 46.45 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.484 1.115 . . . . 2.8199999999999998 109.271 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 1.3 mp -131.69 90.64 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 2.6499999999999999 109.295 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 21.6 p -102.78 141.72 35.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 3.0600000000000001 110.007 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 60.89 39.97 16.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 4.3499999999999996 109.305 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 51.18 36.29 15.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 4.2699999999999996 109.249 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 12.1 mmm-85 -150.66 130.24 6.59 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.569 1.168 . . . . 5.04 110.369 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 360' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 159.01 41.91 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 1.5700000000000001 111.004 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -78.54 158.25 76.35 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 3.1499999999999999 110.297 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 362' ' ' PRO . . . . . 0.556 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.4 Cg_endo -74.96 63.67 5.97 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.504 1.792 . . . . 2.3300000000000001 111.0 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 363' ' ' ASN . . . . . 0.556 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 7.5 m-20 86.22 103.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 4.6200000000000001 109.286 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 364' ' ' TYR . . . . . 0.569 ' CD2' ' HE3' ' A' ' 366' ' ' LYS . 0.1 OUTLIER -128.18 66.06 71.49 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 3.4100000000000001 110.968 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . 0.419 ' HD3' ' C ' ' A' ' 363' ' ' ASN . 18.2 Cg_endo -75.03 55.37 3.94 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.456 1.766 . . . . 1.6399999999999999 111.011 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 366' ' ' LYS . . . . . 0.569 ' HE3' ' CD2' ' A' ' 364' ' ' TYR . 0.2 OUTLIER -82.78 -179.69 7.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 3.5299999999999998 109.315 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 17.0 m -144.73 138.06 26.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 2.4399999999999999 109.995 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 18.8 pt -66.74 -11.39 13.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.45 1.094 . . . . 2.48 109.292 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 369' ' ' HIS . . . . . 0.485 ' CA ' ' HB2' ' A' ' 373' ' ' PHE . 0.0 OUTLIER -70.27 -30.36 67.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 4.2599999999999998 109.559 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.87 -7.89 43.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 2.7000000000000002 110.027 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.03 8.67 40.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 6.9699999999999998 111.056 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . 143.12 -54.03 0.6 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.532 1.145 . . . . 4.2999999999999998 111.049 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 373' ' ' PHE . . . . . 0.485 ' HB2' ' CA ' ' A' ' 369' ' ' HIS . 37.7 t80 56.3 87.4 0.14 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.506 0.768 . . . . 6.0999999999999996 110.962 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 374' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.39 8.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 2.3799999999999999 111.025 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 59.59 74.99 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 8.1300000000000008 109.358 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 1.6 t80 179.32 -36.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 7.7599999999999998 110.991 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 377' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -67.46 176.56 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 2.9300000000000002 109.304 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.77 -36.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 5.5300000000000002 109.317 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -150.64 138.53 19.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 2.4900000000000002 109.326 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 11.2 mt -101.41 145.0 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.126 . . . . 1.9199999999999999 109.349 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.7 -51.78 6.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 1.8400000000000001 109.321 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -155.91 165.9 35.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 1.5900000000000001 109.203 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 383' ' ' ALA . . . . . 0.423 ' CB ' ' HB2' ' A' ' 336' ' ' TYR . . . -153.3 125.72 8.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 1.6599999999999999 109.27 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 46.9 t -149.94 159.51 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 3.9500000000000002 109.278 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -91.76 162.64 14.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 3.5 111.044 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -116.84 95.92 47.63 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 3.3799999999999999 109.319 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 387' ' ' PRO . . . . . 0.557 ' HG3' ' CE2' ' A' ' 434' ' ' TYR . 18.3 Cg_endo -74.95 49.5 2.26 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.469 1.773 . . . . 4.6299999999999999 111.054 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 388' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 387' ' ' PRO . 0.4 OUTLIER -156.96 -39.07 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 4.2300000000000004 110.347 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.07 0.41 16.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 3.8199999999999998 111.007 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 55.0 46.12 24.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 3.8700000000000001 110.966 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -140.25 152.31 45.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 3.73 110.242 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 392' ' ' THR . . . . . 0.561 HG21 ' CE2' ' A' ' 394' ' ' PHE . 21.8 m -100.74 126.83 47.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 1.9199999999999999 110.402 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -84.59 135.7 34.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 2.8999999999999999 110.999 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 394' ' ' PHE . . . . . 0.561 ' CE2' HG21 ' A' ' 392' ' ' THR . 37.5 m-85 -131.39 109.7 10.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 3.8700000000000001 111.06 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . 0.498 ' CD2' HG22 ' A' ' 429' ' ' ILE . 20.4 m-85 -100.76 131.99 46.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 1.8400000000000001 110.988 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 396' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 398' ' ' ASN . 86.3 t -132.95 86.86 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 2.46 109.298 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 62.77 -84.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 4.8300000000000001 109.272 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 396' ' ' VAL . 4.5 m120 -129.58 44.51 2.96 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.475 1.11 . . . . 3.9199999999999999 109.306 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.48 147.04 50.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 4.2599999999999998 110.291 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 400' ' ' TYR . . . . . 0.531 ' CE1' ' HG3' ' A' ' 402' ' ' ARG . 0.6 OUTLIER -128.65 85.95 2.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 3.8199999999999998 110.992 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -86.56 168.46 13.67 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.022 -1.103 . . . . 5.7400000000000002 108.022 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 402' ' ' ARG . . . . . 0.531 ' HG3' ' CE1' ' A' ' 400' ' ' TYR . 3.7 mtm180 -154.11 111.15 3.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 3.9500000000000002 110.279 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -90.11 130.01 36.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 5.75 111.012 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.51 123.16 27.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 2.3599999999999999 109.261 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.44 -50.01 6.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 3.1600000000000001 110.226 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -31.94 68.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 7.21 110.274 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.58 -29.14 13.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 3.21 110.274 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 67.12 43.41 2.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 3.6899999999999999 110.254 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 2.0 tpt -145.47 126.68 14.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 2.7999999999999998 111.029 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -67.27 135.48 53.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 4.1600000000000001 111.004 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.79 133.33 86.54 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 2.3799999999999999 109.271 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 412' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 413' ' ' GLY . 18.7 Cg_endo -74.97 118.62 5.33 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.803 . . . . 2.6899999999999999 111.022 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 413' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 412' ' ' PRO . . . 41.92 94.37 0.01 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.491 1.12 . . . . 1.99 110.95 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 414' ' ' TYR . . . . . 0.548 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 1.8 t80 -135.62 63.2 52.61 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 2.2999999999999998 110.992 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 415' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.5 Cg_endo -74.96 77.32 3.14 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.545 1.813 . . . . 1.8799999999999999 111.003 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . 0.548 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 36.4 mmtt -96.61 173.26 7.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 3.5099999999999998 109.263 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -114.88 140.43 48.98 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.474 1.108 . . . . 3.0699999999999998 109.304 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 1.8 mp -70.07 -62.87 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 1.9099999999999999 109.323 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 419' ' ' THR . . . . . 0.41 ' HB ' ' N ' ' A' ' 427' ' ' PRO . 12.5 t -37.83 -39.51 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.437 1.085 . . . . 2.0699999999999998 110.411 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -65.43 -65.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 2.3399999999999999 109.347 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . 0.579 ' OD1' ' CE2' ' A' ' 422' ' ' PHE . 25.9 t-20 -45.67 -35.3 4.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 2.6099999999999999 109.362 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 422' ' ' PHE . . . . . 0.579 ' CE2' ' OD1' ' A' ' 421' ' ' ASN . 16.5 m-85 -150.89 117.75 5.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 4.0499999999999998 110.999 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -93.55 119.52 32.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 2.8399999999999999 110.341 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 149.64 -35.87 1.01 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.128 . . . . 1.9399999999999999 111.065 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 425' ' ' ILE . . . . . 0.434 ' CD1' ' O ' ' A' ' 422' ' ' PHE . 0.2 OUTLIER -86.7 -24.82 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.437 0.728 . . . . 3.4399999999999999 109.343 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 96.48 177.39 35.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.535 1.147 . . . . 1.22 110.966 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . 0.41 ' N ' ' HB ' ' A' ' 419' ' ' THR . 18.4 Cg_endo -74.95 -9.35 20.8 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 1.49 111.064 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.03 132.5 46.25 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.505 1.128 . . . . 5.3399999999999999 109.299 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 429' ' ' ILE . . . . . 0.498 HG22 ' CD2' ' A' ' 395' ' ' PHE . 0.1 OUTLIER -127.16 140.77 48.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 3.23 109.217 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . 0.415 ' N ' HD11 ' A' ' 429' ' ' ILE . 0.9 OUTLIER -80.21 -64.31 1.22 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.084 . . . . 3.3199999999999998 109.338 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . 0.495 ' O ' ' CD1' ' A' ' 429' ' ' ILE . . . -151.76 173.67 14.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 1.95 109.21 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.3 p -160.36 146.93 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 2.8500000000000001 109.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' PHE . . . . . 0.645 ' CE1' ' CZ ' ' A' ' 443' ' ' PHE . 3.7 p90 -148.23 154.95 40.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 3.79 110.998 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' TYR . . . . . 0.557 ' CE2' ' HG3' ' A' ' 387' ' ' PRO . 63.7 t80 -121.09 89.06 3.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 4.7699999999999996 110.996 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.81 -8.6 10.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.39 1.056 . . . . 3.1099999999999999 110.012 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' LYS . . . . . 0.52 ' HD3' ' CD1' ' A' ' 441' ' ' TYR . 0.0 OUTLIER -69.69 -167.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 5.9900000000000002 109.327 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -99.41 -37.01 9.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 4.2400000000000002 109.333 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . 0.471 ' O ' ' CD1' ' A' ' 439' ' ' TYR . 0.6 OUTLIER -161.54 46.51 0.18 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 5.7599999999999998 109.289 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' TYR . . . . . 0.471 ' CD1' ' O ' ' A' ' 438' ' ' LYS . 20.0 m-85 -144.81 163.34 34.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 4.3099999999999996 110.972 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' TYR . . . . . 0.443 ' N ' ' CD1' ' A' ' 440' ' ' TYR . 10.1 m-85 -129.2 113.39 14.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 4.6600000000000001 110.979 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' TYR . . . . . 0.52 ' CD1' ' HD3' ' A' ' 436' ' ' LYS . 7.2 m-85 -94.51 143.62 26.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 5.0300000000000002 110.994 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -135.13 145.62 48.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 5.0 110.971 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' PHE . . . . . 0.645 ' CZ ' ' CE1' ' A' ' 433' ' ' PHE . 66.2 m-85 -111.03 112.86 24.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 5.7300000000000004 110.995 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -125.86 82.2 2.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 4.2000000000000002 110.271 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 101.72 -95.59 1.36 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.139 . . . . 1.8799999999999999 110.961 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 8.8 p -141.65 44.13 1.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 0.73 . . . . 2.9700000000000002 110.021 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -144.61 141.76 29.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 3.4199999999999999 109.256 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' GLN . . . . . 0.427 ' NE2' ' HG ' ' A' ' 466' ' ' SER . 8.5 pt20 -129.97 71.8 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 4.5700000000000003 110.282 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' PHE . . . . . 0.456 ' HB2' ' CG2' ' A' ' 458' ' ' ILE . 3.8 p90 -79.26 174.12 11.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 6.4800000000000004 111.021 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . 0.477 ' HG3' ' CE1' ' A' ' 441' ' ' TYR . 40.2 tt0 -107.12 159.03 16.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 3.1899999999999999 110.298 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' TYR . . . . . 0.404 ' N ' ' HG2' ' A' ' 450' ' ' GLU . 16.1 t80 -137.5 128.21 27.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 4.2300000000000004 110.968 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' ASP . . . . . 0.4 ' CB ' ' HB2' ' A' ' 455' ' ' LEU . 75.5 m-20 -91.91 139.28 30.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.162 . . . . 3.5699999999999998 109.321 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -88.29 -22.85 23.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.393 1.058 . . . . 4.5800000000000001 111.023 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 19.5 tp -95.79 -2.05 48.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 4.71 109.231 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.4 ' HB2' ' CB ' ' A' ' 452' ' ' ASP . 4.7 mt -124.67 -42.67 2.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 4.9100000000000001 109.31 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' A' ' 455' ' ' LEU . 23.5 mt-30 77.44 17.8 1.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 3.6099999999999999 110.297 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.49 164.35 18.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 4.9400000000000004 110.266 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' ILE . . . . . 0.456 ' CG2' ' HB2' ' A' ' 449' ' ' PHE . 44.3 mt -98.02 112.24 29.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 2.9900000000000002 109.278 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' THR . . . . . 0.468 ' OG1' ' N ' ' A' ' 460' ' ' LYS . 39.0 p -69.96 -70.14 0.31 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 3.4300000000000002 110.339 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' LYS . . . . . 0.468 ' N ' ' OG1' ' A' ' 459' ' ' THR . 0.2 OUTLIER -110.92 147.43 34.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 6.6600000000000001 109.293 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 3.7 m -132.58 100.74 5.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 3.4900000000000002 110.409 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' LEU . . . . . 0.484 ' CB ' ' HB3' ' A' ' 466' ' ' SER . 1.1 mm? -84.01 179.65 7.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 4.96 109.263 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' LYS . . . . . 0.421 ' C ' ' N ' ' A' ' 465' ' ' ASN . 0.0 OUTLIER -121.88 74.47 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 4.0700000000000003 109.312 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 44.92 25.35 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 2.4900000000000002 110.019 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . 0.421 ' N ' ' C ' ' A' ' 463' ' ' LYS . 9.3 m-80 -135.13 32.98 3.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 3.9300000000000002 109.329 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 466' ' ' SER . . . . . 0.484 ' HB3' ' CB ' ' A' ' 462' ' ' LEU . 0.9 OUTLIER -100.15 33.44 2.63 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.15 . . . . 6.0599999999999996 110.026 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 467' ' ' TRP . . . . . 0.564 ' O ' ' CG ' ' A' ' 468' ' ' PHE . 4.4 m95 177.08 56.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 6.2199999999999998 108.025 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 468' ' ' PHE . . . . . 0.573 ' CE1' ' CZ3' ' A' ' 307' ' ' TRP . 86.3 m-85 -163.42 -41.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 8.2100000000000009 110.934 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 109.74 67.45 0.58 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.457 1.098 . . . . 3.4300000000000002 110.98 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 470' ' ' CYS . . . . . 1.058 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 1.1 m . . . . . 0 C--N 1.324 -0.519 0 N-CA-C 108.283 -1.006 . . . . 4.0199999999999996 108.283 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 471' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 277' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.5 0.19 . . . . 10.07 110.999 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -123.44 113.73 29.09 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 8.0199999999999996 110.308 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -86.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 4.4500000000000002 110.995 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 280' ' ' ALA . . . . . . . . . . . . . . . -166.86 -52.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 4.4299999999999997 109.254 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 281' ' ' LEU . . . . . 0.466 HD13 ' CG2' ' A' ' 318' ' ' VAL . 0.4 OUTLIER 73.75 36.04 0.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 4.5499999999999998 109.299 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 282' ' ' CYS . . . . . 1.07 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 0.5 OUTLIER 178.75 42.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 3.7400000000000002 108.382 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.83 154.26 16.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 3.4700000000000002 109.298 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 56.9 4.38 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.532 1.806 . . . . 2.9700000000000002 111.073 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -165.11 55.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 3.1899999999999999 109.244 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 10.8 tp -108.33 148.09 30.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 3.77 109.253 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 81.5 p -134.87 157.11 47.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 2.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -124.15 170.23 10.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 2.9500000000000002 111.047 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 289' ' ' ASP . . . . . 0.834 ' O ' 'CA ' ' A' ' 471' ' ' ' CA' . 0.2 OUTLIER -114.42 -56.71 2.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 2.2599999999999998 109.261 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -138.75 172.55 12.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.9299999999999999 109.285 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 291' ' ' VAL . . . . . . . . . . . . . 8.5 m -152.65 137.71 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 3.0600000000000001 109.266 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 292' ' ' THR . . . . . 0.468 ' CB ' ' HB1' ' A' ' 335' ' ' ALA . 0.6 OUTLIER -131.65 151.29 51.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 2.6600000000000001 110.297 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 15.8 p -130.78 106.53 8.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 4.21 110.363 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 98.7 t -121.81 84.93 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 3.4500000000000002 109.291 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 85.0 -120.03 5.19 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 1.9099999999999999 111.011 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -108.01 11.3 27.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 0.756 . . . . 4.5800000000000001 109.279 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.41 145.79 31.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 3.5600000000000001 109.287 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 10.6 pt -132.44 151.52 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 2.6200000000000001 109.321 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 299' ' ' PHE . . . . . 0.524 ' CE2' ' CD2' ' A' ' 308' ' ' LEU . 33.9 m-85 -141.91 150.16 41.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 3.7400000000000002 110.97 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 300' ' ' PHE . . . . . 0.573 ' CD1' ' N ' ' A' ' 300' ' ' PHE . 0.4 OUTLIER -143.39 104.66 4.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 4.1200000000000001 111.004 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 301' ' ' PHE . . . . . 0.557 ' CD2' ' HB ' ' A' ' 332' ' ' ILE . 41.5 m-85 -81.68 155.86 25.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 3.4500000000000002 110.995 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 302' ' ' LYS . . . . . 0.443 ' HB2' ' CZ3' ' A' ' 307' ' ' TRP . 0.0 OUTLIER -127.06 -53.55 1.4 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 5.4400000000000004 109.253 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 303' ' ' ASP . . . . . 0.436 ' O ' ' HB2' ' A' ' 304' ' ' ARG . 19.5 t70 -165.3 79.76 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 4.75 109.292 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 304' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' A' ' 303' ' ' ASP . 2.8 mmt-85 80.45 -10.27 1.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 7.2999999999999998 110.35 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . 0.52 ' CD2' ' O ' ' A' ' 319' ' ' ASN . 8.5 m-85 -104.73 153.12 21.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 3.9399999999999999 110.966 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 306' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -121.05 146.41 46.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 2.54 110.968 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 307' ' ' TRP . . . . . 0.558 ' CZ2' HG21 ' A' ' 318' ' ' VAL . 1.3 m-90 -102.75 137.29 41.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 6.46 107.975 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . 0.524 ' CD2' ' CE2' ' A' ' 299' ' ' PHE . 1.1 tm? -137.37 105.08 5.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 3.3199999999999998 109.246 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -153.23 105.22 2.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 3.79 109.273 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 311' ' ' SER . 0.2 OUTLIER 177.81 -72.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 2.9199999999999999 109.327 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 311' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 310' ' ' VAL . 33.2 p -37.33 -82.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 7.3799999999999999 110.062 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -145.73 66.08 1.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 7.1600000000000001 110.298 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.48 128.78 23.94 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 5.8799999999999999 110.266 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -37.16 2.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 3.02 110.946 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 19.6 ttmt -139.88 163.95 31.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 5.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 23.5 p -75.47 136.86 40.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 2.73 110.409 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.94 128.84 55.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 3.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 318' ' ' VAL . . . . . 0.558 HG21 ' CZ2' ' A' ' 307' ' ' TRP . 38.1 t -96.26 73.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 2.8500000000000001 109.282 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . 0.52 ' O ' ' CD2' ' A' ' 305' ' ' PHE . 2.0 m120 -96.76 179.64 4.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 2.8300000000000001 109.309 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . 0.406 ' HG ' ' N ' ' A' ' 321' ' ' ILE . 10.3 tp -93.19 152.01 19.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.076 . . . . 3.2000000000000002 109.263 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 321' ' ' ILE . . . . . 0.426 HD13 ' CD1' ' A' ' 332' ' ' ILE . 42.4 mt -67.36 -62.23 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 2.2200000000000002 109.286 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.61 -26.86 0.67 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 3.9100000000000001 109.985 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.51 -41.66 61.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 1.8899999999999999 109.95 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.48 -76.29 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.594 1.184 . . . . 3.1400000000000001 109.256 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -48.79 153.04 1.54 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 2.0899999999999999 108.05 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 326' ' ' PRO . . . . . 0.475 ' HG2' ' CG ' ' A' ' 360' ' ' PRO . 18.4 Cg_endo -75.0 -79.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.475 1.776 . . . . 1.3799999999999999 110.996 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 327' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.0 96.52 4.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.42 1.075 . . . . 2.6699999999999999 110.422 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -113.03 161.72 25.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 2.4399999999999999 109.338 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -3.93 14.65 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.783 . . . . 2.75 111.006 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 330' ' ' SER . . . . . 0.565 ' O ' ' C ' ' A' ' 331' ' ' GLY . 0.9 OUTLIER 53.04 -162.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 2.8900000000000001 109.961 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . 0.565 ' C ' ' O ' ' A' ' 330' ' ' SER . . . 21.54 61.91 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.519 1.137 . . . . 1.7 110.976 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.557 ' HB ' ' CD2' ' A' ' 301' ' ' PHE . 4.1 mp -65.61 113.76 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 3.1499999999999999 109.268 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -81.92 -34.8 29.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 3.77 110.315 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -156.63 129.54 7.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 2.3300000000000001 109.252 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . 0.468 ' HB1' ' CB ' ' A' ' 292' ' ' THR . . . -109.33 149.99 28.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 2.0699999999999998 109.273 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 336' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -140.39 160.0 40.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 4.7999999999999998 110.989 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -134.44 136.39 43.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 4.79 110.23 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 340' ' ' ALA . 0.5 OUTLIER -107.91 84.69 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 5.3200000000000003 109.327 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -67.13 73.19 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 4.4699999999999998 110.299 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 338' ' ' ILE . . . -156.52 -55.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 3.21 109.35 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -112.91 10.11 18.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 5.4199999999999999 110.317 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 56.59 75.64 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 3.5600000000000001 109.353 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . 0.414 ' OE1' ' CE1' ' A' ' 345' ' ' PHE . 1.1 mt-30 -131.53 173.7 10.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 3.5600000000000001 110.314 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 344' ' ' VAL . . . . . . . . . . . . . 89.8 t -142.85 139.67 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 2.5 109.367 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 345' ' ' PHE . . . . . 0.414 ' CE1' ' OE1' ' A' ' 343' ' ' GLN . 44.0 m-85 -131.68 137.32 48.25 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.542 1.151 . . . . 3.8300000000000001 111.036 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -123.11 120.86 34.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 2.5299999999999998 109.305 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 347' ' ' PHE . . . . . 0.503 ' CG ' HD13 ' A' ' 380' ' ' ILE . 16.5 m-85 -87.67 138.19 31.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 3.73 110.999 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 348' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.81 112.92 2.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 4.0499999999999998 109.334 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 3.2 t0 53.75 -151.0 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 3.0800000000000001 109.27 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 350' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 350' ' ' ASP . 2.5 p-10 -87.13 43.98 1.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 3.6400000000000001 109.324 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -151.31 149.41 29.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 2.4199999999999999 109.271 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 352' ' ' TYR . . . . . 0.575 ' C ' ' CD1' ' A' ' 352' ' ' TYR . 1.0 OUTLIER -130.49 154.31 47.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 5.3300000000000001 111.009 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -121.43 147.25 45.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.558 1.161 . . . . 7.6600000000000001 107.984 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 354' ' ' LEU . . . . . 0.407 HD13 ' NE2' ' A' ' 343' ' ' GLN . 1.8 tp -114.33 138.02 51.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.568 1.168 . . . . 2.7599999999999998 109.251 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 2.0 mp -132.34 103.43 6.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 2.46 109.319 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 33.0 t -111.36 136.11 50.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 2.46 109.986 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 7.8 m120 58.08 44.98 18.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 3.8500000000000001 109.306 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 53.45 36.71 23.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 4.1100000000000003 109.32 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.7 129.29 6.46 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 4.21 110.28 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 360' ' ' PRO . . . . . 0.475 ' CG ' ' HG2' ' A' ' 326' ' ' PRO . 18.4 Cg_endo -75.07 167.24 27.42 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.544 1.812 . . . . 1.77 111.003 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -76.49 159.86 78.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 2.8900000000000001 110.197 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 362' ' ' PRO . . . . . 0.56 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.0 Cg_endo -75.17 56.83 4.48 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.473 1.775 . . . . 2.3999999999999999 110.98 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 363' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 5.6 m-20 86.75 96.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 5.2800000000000002 109.371 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 364' ' ' TYR . . . . . 0.555 ' CD2' ' HE3' ' A' ' 366' ' ' LYS . 0.1 OUTLIER -127.99 64.82 66.94 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.375 1.047 . . . . 3.23 111.005 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . 0.442 ' HD3' ' C ' ' A' ' 363' ' ' ASN . 18.3 Cg_endo -74.98 54.33 3.6 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.472 1.775 . . . . 1.9399999999999999 110.983 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 366' ' ' LYS . . . . . 0.555 ' HE3' ' CD2' ' A' ' 364' ' ' TYR . 0.1 OUTLIER -84.48 179.28 7.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.098 . . . . 3.5699999999999998 109.284 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 5.0 m -136.15 132.77 36.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 2.4900000000000002 109.967 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 39.0 pt -57.23 -25.19 22.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 3.3399999999999999 109.254 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -69.55 -26.57 64.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 4.7599999999999998 109.662 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.6 -9.85 39.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 2.7999999999999998 110.009 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -153.5 39.51 0.5 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.49 1.119 . . . . 8.4800000000000004 111.051 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 372' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -145.25 -67.11 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.498 1.124 . . . . 3.0499999999999998 111.011 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 373' ' ' PHE . . . . . 0.455 ' N ' ' HD3' ' A' ' 374' ' ' PRO . 1.3 t80 35.57 60.68 2.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.528 0.781 . . . . 6.5800000000000001 110.968 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 374' ' ' PRO . . . . . 0.455 ' HD3' ' N ' ' A' ' 373' ' ' PHE . 18.5 Cg_endo -74.87 -88.01 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.553 1.818 . . . . 3.5 110.973 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -135.95 -46.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 7.3200000000000003 109.227 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -171.32 84.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 5.9100000000000001 111.045 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 377' ' ' VAL . . . . . 0.431 ' CG1' ' HG2' ' A' ' 374' ' ' PRO . 11.4 m -109.03 169.19 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 3.75 109.284 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.84 -34.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 3.5099999999999998 109.254 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.91 126.09 16.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 2.6800000000000002 109.265 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . 0.503 HD13 ' CG ' ' A' ' 347' ' ' PHE . 38.9 mt -98.22 141.86 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 2.1200000000000001 109.271 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -87.02 -48.46 8.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 2.1000000000000001 109.377 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -158.6 169.74 23.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 1.6899999999999999 109.27 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -160.11 128.02 4.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.586 1.179 . . . . 1.78 109.254 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 8.7 p -130.48 166.55 27.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 3.0299999999999998 109.285 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -117.19 131.72 56.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 2.3799999999999999 110.945 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -93.51 121.56 64.64 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 2.9199999999999999 109.318 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -43.65 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.538 1.81 . . . . 2.77 111.004 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.2 44.43 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 3.4900000000000002 110.259 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 389' ' ' PHE . . . . . 0.565 ' C ' ' CG ' ' A' ' 390' ' ' TYR . 0.1 OUTLIER -172.69 -37.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.588 1.18 . . . . 4.5700000000000003 111.065 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 390' ' ' TYR . . . . . 0.565 ' CG ' ' C ' ' A' ' 389' ' ' PHE . 3.0 m-85 72.33 39.79 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 3.23 110.964 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -132.1 145.8 51.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 3.6600000000000001 110.355 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 29.5 m -102.47 114.17 28.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 1.5800000000000001 110.419 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . 0.525 ' CE2' ' OH ' ' A' ' 400' ' ' TYR . 13.0 m-85 -79.66 117.08 20.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 3.0499999999999998 110.96 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -102.4 127.69 49.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 3.2999999999999998 111.057 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -106.07 113.9 27.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 1.6499999999999999 110.909 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 93.6 t -134.8 122.64 38.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.147 . . . . 2.8500000000000001 109.329 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 52.8 -151.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.406 1.066 . . . . 3.6400000000000001 109.224 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -87.72 49.21 1.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 3.6099999999999999 109.271 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -148.06 163.16 37.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 3.6400000000000001 110.27 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 400' ' ' TYR . . . . . 0.545 ' CD1' ' C ' ' A' ' 400' ' ' TYR . 0.1 OUTLIER -132.27 120.13 21.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 3.3399999999999999 111.001 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 6.0 m-90 -113.2 164.52 13.42 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.933 -1.136 . . . . 6.4000000000000004 107.933 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -146.51 126.99 14.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 3.9300000000000002 110.355 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -101.09 147.26 26.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 6.7000000000000002 110.969 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.51 127.52 39.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 1.8200000000000001 109.362 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.52 -50.59 4.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 3.54 110.32 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -65.03 -28.97 69.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 7.6799999999999997 110.242 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 407' ' ' ARG . . . . . 0.428 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 1.5 mmt85 -91.7 -44.67 8.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 4.0300000000000002 110.242 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . 0.428 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 14.8 tt0 81.0 39.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.085 . . . . 2.8300000000000001 110.334 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 4.5 tpt -144.69 111.16 5.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 4.4699999999999998 110.949 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.0 139.21 54.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 5.9699999999999998 110.952 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -94.33 112.09 56.18 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 3.9399999999999999 109.277 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -55.82 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.468 1.773 . . . . 5.6100000000000003 111.008 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . -74.16 64.16 2.04 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.501 1.125 . . . . 2.2200000000000002 111.039 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 414' ' ' TYR . . . . . 0.553 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 1.9 t80 -136.29 61.67 40.18 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.431 0.724 . . . . 3.4300000000000002 111.024 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 415' ' ' PRO . . . . . 0.452 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -74.95 67.87 5.81 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.54 1.811 . . . . 1.76 111.002 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . 0.553 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 18.0 mmtt -87.66 173.51 8.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 3.4100000000000001 109.333 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.98 153.86 39.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 2.9900000000000002 109.332 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 4.4 mp -69.95 -51.78 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.594 1.184 . . . . 2.52 109.293 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 17.2 m -57.28 -49.17 76.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 3.7000000000000002 110.439 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -50.24 -66.17 0.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 3.5899999999999999 109.3 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . 0.508 ' OD1' ' CE2' ' A' ' 422' ' ' PHE . 11.4 t-20 -42.01 -53.51 3.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 2.7799999999999998 109.284 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 422' ' ' PHE . . . . . 0.553 ' HB3' ' CE2' ' A' ' 451' ' ' TYR . 51.1 m-85 -131.67 99.64 4.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 4.0099999999999998 111.01 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -78.7 110.75 14.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 3.0699999999999998 110.25 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . 0.49 ' HA3' ' CD1' ' A' ' 458' ' ' ILE . . . 131.6 41.76 0.2 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.558 1.161 . . . . 2.6499999999999999 110.946 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 425' ' ' ILE . . . . . 0.442 ' CD1' ' HB2' ' A' ' 422' ' ' PHE . 1.4 pt -147.16 -58.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.583 0.814 . . . . 3.54 109.304 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 143.5 164.32 10.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.434 1.084 . . . . 1.21 110.972 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -24.49 12.69 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.45 1.763 . . . . 1.3 110.983 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.7 141.35 48.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 3.2200000000000002 109.29 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 1.5 mm -134.17 141.27 44.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 3.48 109.272 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.99 -71.06 0.71 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 2.3100000000000001 109.307 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -123.7 144.21 49.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 2.4199999999999999 109.36 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.646 ' CG2' ' CE1' ' A' ' 442' ' ' PHE . 2.5 p -160.07 108.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 3.1899999999999999 109.308 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -118.26 166.95 12.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 3.6099999999999999 111.015 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' TYR . . . . . 0.428 ' O ' ' CD2' ' A' ' 434' ' ' TYR . 90.2 t80 -127.33 79.11 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 4.6600000000000001 111.02 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.72 -18.67 13.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 2.3500000000000001 109.964 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' LYS . . . . . 0.561 ' HE3' ' CE2' ' A' ' 441' ' ' TYR . 31.9 mmtt -71.3 -152.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 6.1799999999999997 109.306 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' ASN . . . . . 0.45 ' O ' ' CD2' ' A' ' 439' ' ' TYR . 21.5 t-20 -123.25 114.91 20.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 4.7699999999999996 109.268 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.96 29.48 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.074 . . . . 3.6600000000000001 109.319 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' TYR . . . . . 0.45 ' CD2' ' O ' ' A' ' 437' ' ' ASN . 11.8 m-85 -131.04 144.76 51.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 3.1800000000000002 111.0 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -118.87 127.86 53.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 4.5700000000000003 110.968 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' TYR . . . . . 0.561 ' CE2' ' HE3' ' A' ' 436' ' ' LYS . 3.4 m-30 -105.53 127.1 52.83 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.452 1.095 . . . . 3.8900000000000001 111.021 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . 0.646 ' CE1' ' CG2' ' A' ' 432' ' ' VAL . 24.9 m-85 -124.12 140.42 52.98 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.122 . . . . 4.1600000000000001 111.06 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' PHE . . . . . 0.552 ' C ' ' CD1' ' A' ' 443' ' ' PHE . 0.1 OUTLIER -142.18 141.01 32.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 6.7199999999999998 110.986 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -152.39 69.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 4.9699999999999998 110.314 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 137.67 -89.7 0.21 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.539 1.149 . . . . 1.77 111.024 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 3.8 t -150.58 40.22 0.75 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.546 0.792 . . . . 2.73 109.959 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -148.45 142.85 26.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 2.3599999999999999 109.284 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -121.37 97.06 5.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 3.2000000000000002 110.297 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -87.23 151.62 23.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 4.2199999999999998 110.957 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . 0.401 ' HG2' ' N ' ' A' ' 451' ' ' TYR . 20.3 tt0 -117.56 143.65 45.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 3.4300000000000002 110.27 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 422' ' ' PHE . 1.2 t80 -121.63 113.19 19.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 4.04 111.008 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -97.21 106.63 19.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 3.48 109.377 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -55.47 -17.09 4.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 4.5999999999999996 110.966 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 41.9 tp -41.3 -44.49 2.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 3.2999999999999998 109.271 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -164.92 30.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 3.3500000000000001 109.352 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . 0.45 ' HA ' ' CE1' ' A' ' 451' ' ' TYR . 3.4 mt-30 45.7 75.78 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 3.5299999999999998 110.302 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -136.82 121.42 18.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 5.8099999999999996 110.346 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' ILE . . . . . 0.49 ' CD1' ' HA3' ' A' ' 424' ' ' GLY . 3.0 mp -91.83 88.2 2.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 3.4399999999999999 109.304 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 9.5 t -113.25 44.4 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 4.9400000000000004 110.363 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.46 116.71 2.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 5.0800000000000001 109.31 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 54.8 m -138.86 79.71 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 3.6299999999999999 110.392 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -97.18 161.3 13.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 3.27 109.316 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.75 146.51 24.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 3.8100000000000001 109.359 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 24.5 p -40.44 -42.51 1.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 1.97 109.997 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -99.34 72.99 1.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.402 1.064 . . . . 2.9100000000000001 109.364 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 4.2 t -120.37 -7.2 9.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 3.23 109.979 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 467' ' ' TRP . . . . . 0.424 ' O ' ' C ' ' A' ' 468' ' ' PHE . 9.6 m95 -122.05 -70.18 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 5.3600000000000003 108.025 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 468' ' ' PHE . . . . . 0.424 ' C ' ' O ' ' A' ' 467' ' ' TRP . 18.4 m-85 -35.84 -50.6 0.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 9.4600000000000009 110.932 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . 0.416 ' O ' ' SG ' ' A' ' 470' ' ' CYS . . . 104.58 51.83 0.89 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.512 1.132 . . . . 3.25 110.985 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 470' ' ' CYS . . . . . 1.07 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 1.5 p . . . . . 0 C--N 1.324 -0.506 0 N-CA-C 108.265 -1.013 . . . . 7.8700000000000001 108.265 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 471' ' ' ' CA' . . . . . 0.834 'CA ' ' O ' ' A' ' 289' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 277' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.496 0.188 . . . . 11.890000000000001 110.984 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . 0.471 ' N ' ' HD3' ' A' ' 279' ' ' PRO . 0.7 OUTLIER -157.07 60.86 2.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 10.220000000000001 110.343 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 279' ' ' PRO . . . . . 0.615 ' CG ' ' CZ2' ' A' ' 307' ' ' TRP . 18.4 Cg_endo -75.01 100.29 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.54 1.811 . . . . 4.6500000000000004 111.061 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 280' ' ' ALA . . . . . 0.529 ' C ' ' O ' ' A' ' 279' ' ' PRO . . . 27.84 56.22 0.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.162 . . . . 5.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 281' ' ' LEU . . . . . . . . . . . . . 11.4 mt -103.19 40.12 1.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 3.6699999999999999 109.314 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 282' ' ' CYS . . . . . 1.055 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 0.1 OUTLIER -171.79 -60.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 4.1100000000000003 108.241 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 283' ' ' ASP . . . . . 0.437 ' O ' ' ND2' ' A' ' 285' ' ' ASN . 0.9 OUTLIER -69.14 146.88 97.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 3.6899999999999999 109.29 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 84.68 1.62 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.562 1.822 . . . . 1.8100000000000001 111.032 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 285' ' ' ASN . . . . . 0.495 ' ND2' ' N ' ' A' ' 285' ' ' ASN . 0.1 OUTLIER -167.19 32.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 2.8900000000000001 109.289 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -106.53 139.26 41.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 4.9000000000000004 109.297 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 2.2 p -123.26 153.33 40.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 2.6600000000000001 109.971 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 288' ' ' PHE . . . . . 0.543 ' CE2' ' CE2' ' A' ' 443' ' ' PHE . 18.5 m-85 -112.88 171.43 7.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 3.5099999999999998 111.022 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -145.23 -57.1 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 4.0899999999999999 109.274 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -126.51 122.02 33.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 2.5800000000000001 109.264 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 291' ' ' VAL . . . . . . . . . . . . . 63.2 t -131.21 134.25 61.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 3.1400000000000001 109.333 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 10.1 t -151.23 168.87 23.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 2.04 110.352 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 293' ' ' THR . . . . . 0.434 HG21 ' CB ' ' A' ' 435' ' ' SER . 22.7 p -122.64 166.66 14.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 3.2999999999999998 110.444 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 87.6 t -146.33 61.53 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.587 1.179 . . . . 2.7999999999999998 109.346 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . 0.475 ' O ' ' CB ' ' A' ' 296' ' ' ASN . . . 64.73 71.54 0.85 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.544 1.152 . . . . 3.0699999999999998 110.97 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 296' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 295' ' ' GLY . 1.9 t30 80.05 -2.93 1.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 3.6600000000000001 109.292 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . 0.499 ' CG ' HG21 ' A' ' 310' ' ' VAL . 3.5 mtpp -103.53 162.0 13.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 3.7799999999999998 109.34 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 298' ' ' ILE . . . . . 0.561 HG23 ' CE1' ' A' ' 300' ' ' PHE . 5.2 mt -140.2 157.01 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 3.48 109.364 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 299' ' ' PHE . . . . . 0.574 ' CE1' HD23 ' A' ' 308' ' ' LEU . 63.2 m-85 -151.37 114.21 4.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 3.4100000000000001 110.99 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 300' ' ' PHE . . . . . 0.561 ' CE1' HG23 ' A' ' 298' ' ' ILE . 21.8 m-85 -110.45 152.62 26.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 4.1500000000000004 111.001 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 301' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 301' ' ' PHE . 4.8 m-85 -136.96 163.58 30.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 4.54 110.993 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 302' ' ' LYS . . . . . 0.496 ' HG3' ' CH2' ' A' ' 307' ' ' TRP . 0.9 OUTLIER -147.14 96.4 2.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 3.5299999999999998 109.32 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.21 -82.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.417 1.073 . . . . 3.4100000000000001 109.286 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.3 -12.81 7.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 6.8399999999999999 110.303 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.4 130.76 35.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 4.7599999999999998 111.054 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 306' ' ' PHE . . . . . 0.537 ' CD2' ' ND2' ' A' ' 319' ' ' ASN . 0.9 OUTLIER -112.37 106.55 15.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 4.9699999999999998 110.952 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 307' ' ' TRP . . . . . 0.615 ' CZ2' ' CG ' ' A' ' 279' ' ' PRO . 26.2 m0 -95.99 169.9 9.66 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.973 -1.121 . . . . 4.8200000000000003 107.973 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . 0.574 HD23 ' CE1' ' A' ' 299' ' ' PHE . 2.2 tm? -149.97 129.39 12.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 2.6899999999999999 109.353 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 309' ' ' LYS . . . . . 0.44 ' NZ ' ' O ' ' A' ' 313' ' ' ARG . 4.7 tmtt? -139.19 128.18 23.69 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 4.04 109.335 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . 0.499 HG21 ' CG ' ' A' ' 297' ' ' LYS . 5.3 p -153.98 176.56 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 3.6099999999999999 109.271 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 311' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 310' ' ' VAL . 46.8 t 35.97 -153.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 4.8200000000000003 110.005 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 312' ' ' GLU . . . . . 0.537 ' O ' ' C ' ' A' ' 313' ' ' ARG . 5.3 pt-20 -90.95 13.93 15.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 6.71 110.249 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 313' ' ' ARG . . . . . 0.537 ' C ' ' O ' ' A' ' 312' ' ' GLU . 0.1 OUTLIER -27.56 120.53 0.25 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 5.5599999999999996 110.284 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 2.47 6.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.452 1.764 . . . . 3.6699999999999999 110.969 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -162.11 160.44 27.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 4.4299999999999997 109.309 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 7.1 p -107.41 151.57 25.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 2.3999999999999999 110.438 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 22.8 t -83.69 160.34 21.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 3.7400000000000002 110.03 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 5.6 t -131.48 79.14 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 3.9199999999999999 109.305 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . 0.537 ' ND2' ' CD2' ' A' ' 306' ' ' PHE . 4.4 p-10 -111.49 -176.89 3.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 6.7999999999999998 109.27 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.06 160.21 24.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 3.2799999999999998 109.27 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 321' ' ' ILE . . . . . . . . . . . . . 1.9 mp -59.44 -81.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 2.3799999999999999 109.307 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 322' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 323' ' ' SER . 9.4 p -41.86 -34.92 0.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 2.9100000000000001 109.952 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 323' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 322' ' ' SER . 0.1 OUTLIER -37.28 -46.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 2.1099999999999999 110.02 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 1.9 mp -107.43 -66.75 1.0 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.433 1.083 . . . . 2.79 109.283 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -52.13 144.57 20.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 2.0 108.057 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -88.65 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.518 1.799 . . . . 1.22 110.954 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 327' ' ' THR . . . . . . . . . . . . . 3.3 t -101.2 95.3 6.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.168 . . . . 2.3700000000000001 110.412 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -141.46 144.08 32.39 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 3.1299999999999999 109.3 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 162.65 36.69 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.592 1.838 . . . . 1.8100000000000001 111.044 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 3.2 p -102.42 144.49 30.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.624 1.203 . . . . 3.0600000000000001 109.979 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 73.55 60.69 3.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.457 1.098 . . . . 1.3500000000000001 111.054 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 25.8 mt -53.25 139.2 11.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 2.8100000000000001 109.306 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -82.3 -51.56 7.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.073 . . . . 2.6699999999999999 110.286 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -144.73 115.32 7.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 1.7 109.297 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -104.25 124.42 49.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 2.0299999999999998 109.328 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 336' ' ' TYR . . . . . 0.63 ' CZ ' ' CB ' ' A' ' 345' ' ' PHE . 23.4 p90 -136.76 -179.81 5.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.441 1.088 . . . . 5.8499999999999996 110.982 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.75 152.92 47.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 3.8500000000000001 110.275 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . 0.435 HD13 ' CE1' ' A' ' 345' ' ' PHE . 98.1 mt -112.32 88.49 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 5.5 109.307 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.17 66.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 3.7999999999999998 110.355 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 338' ' ' ILE . . . -139.42 -68.37 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 2.79 109.31 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -110.4 16.3 21.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 4.0700000000000003 110.291 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 4.3 t30 59.91 80.57 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 3.02 109.298 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -131.82 174.65 9.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 3.7599999999999998 110.301 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 344' ' ' VAL . . . . . 0.471 ' O ' ' CD1' ' A' ' 345' ' ' PHE . 74.3 t -139.56 154.73 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 2.3100000000000001 109.313 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 345' ' ' PHE . . . . . 0.63 ' CB ' ' CZ ' ' A' ' 336' ' ' TYR . 52.8 m-85 -153.26 140.84 19.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 4.1299999999999999 110.945 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 9.1 mt -133.08 109.06 9.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 4.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 347' ' ' PHE . . . . . 0.515 ' CE2' ' CE1' ' A' ' 336' ' ' TYR . 13.4 m-85 -80.71 145.97 31.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 2.98 110.979 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 348' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.0 OUTLIER -163.51 121.31 1.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.421 1.076 . . . . 4.0099999999999998 109.29 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.8 t0 55.15 -151.84 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 3.1200000000000001 109.298 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 350' ' ' ASP . . . . . 0.437 ' O ' ' CG ' ' A' ' 350' ' ' ASP . 2.1 p-10 -86.09 41.77 0.94 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.461 1.101 . . . . 2.7000000000000002 109.312 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 19.7 mtmt -155.37 150.09 26.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 2.2999999999999998 109.285 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 352' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 366' ' ' LYS . 51.0 p90 -145.5 125.65 13.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.401 1.063 . . . . 4.2599999999999998 110.988 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -90.45 155.75 18.7 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.941 -1.133 . . . . 5.1799999999999997 107.941 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 354' ' ' LEU . . . . . 0.446 ' HB2' ' CE2' ' A' ' 345' ' ' PHE . 0.1 OUTLIER -117.9 126.66 52.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 2.7000000000000002 109.244 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . 0.445 ' CG2' ' HB ' ' A' ' 344' ' ' VAL . 1.2 mp -96.44 98.9 8.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 2.4399999999999999 109.294 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 45.6 t -100.71 118.82 37.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 2.1600000000000001 110.03 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 60.29 45.97 10.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.097 . . . . 4.1799999999999997 109.247 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.66 33.76 23.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 3.77 109.267 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.81 116.57 5.32 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 5.8399999999999999 110.278 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 360' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 361' ' ' GLU . 18.4 Cg_endo -74.94 108.06 2.63 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.433 1.754 . . . . 1.9299999999999999 111.084 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 361' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 360' ' ' PRO . 21.6 mm-40 -38.36 123.01 1.11 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 2.4199999999999999 110.377 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 135.38 19.05 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.532 1.806 . . . . 2.54 111.022 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 363' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 64.67 60.76 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 4.25 109.319 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 364' ' ' TYR . . . . . 0.565 ' CE2' ' HD3' ' A' ' 366' ' ' LYS . 0.1 OUTLIER -134.46 59.05 33.85 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 3.3199999999999998 111.045 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . 0.488 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -75.06 51.96 2.95 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.516 1.798 . . . . 1.48 110.996 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 366' ' ' LYS . . . . . 0.567 ' HB3' ' CE1' ' A' ' 352' ' ' TYR . 0.1 OUTLIER -57.28 158.3 5.56 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 2.52 109.31 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 2.0 m -135.96 130.68 34.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 2.0699999999999998 110.0 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . 0.448 HD11 ' CG1' ' A' ' 377' ' ' VAL . 43.9 pt -54.16 -32.57 23.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.407 1.067 . . . . 2.5699999999999998 109.273 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -33.26 74.67 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.535 1.147 . . . . 3.8700000000000001 109.542 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 370' ' ' SER . . . . . 0.505 ' O ' ' CG ' ' A' ' 371' ' ' PHE . 0.1 OUTLIER -56.43 -17.27 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 2.6099999999999999 109.987 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 371' ' ' PHE . . . . . 0.505 ' CG ' ' O ' ' A' ' 370' ' ' SER . 88.5 m-85 -162.91 53.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 8.4199999999999999 110.959 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . -151.38 -59.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.517 1.136 . . . . 3.02 111.049 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 373' ' ' PHE . . . . . 0.441 ' N ' ' HD3' ' A' ' 374' ' ' PRO . 2.1 t80 49.4 61.48 13.82 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.496 0.762 . . . . 8.0899999999999999 110.927 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 374' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' A' ' 373' ' ' PHE . 18.0 Cg_endo -74.96 -163.14 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.485 1.782 . . . . 2.8799999999999999 111.055 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -85.2 -45.74 11.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 7.2800000000000002 109.298 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -168.99 83.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 5.8700000000000001 111.03 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 377' ' ' VAL . . . . . 0.448 ' CG1' HD11 ' A' ' 368' ' ' ILE . 7.1 p -94.61 168.4 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 3.7200000000000002 109.287 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 378' ' ' LYS . . . . . 0.454 ' HG2' ' N ' ' A' ' 379' ' ' LYS . 0.0 OUTLIER -178.22 -35.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.148 . . . . 6.9800000000000004 109.362 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . 0.454 ' N ' ' HG2' ' A' ' 378' ' ' LYS . 0.0 OUTLIER -159.01 134.36 8.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 3.04 109.372 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 17.6 mt -91.71 139.51 17.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 2.1099999999999999 109.273 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.74 -53.32 6.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 2.04 109.315 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -159.2 166.88 30.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 1.9399999999999999 109.312 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -156.26 125.46 6.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 1.6499999999999999 109.319 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 12.1 p -126.94 154.29 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 3.0099999999999998 109.339 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -114.39 117.9 32.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 3.3100000000000001 110.936 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -97.49 117.6 65.26 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 4.1200000000000001 109.304 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.12 -20.39 16.68 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.5 1.79 . . . . 2.25 110.953 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -38.17 36.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.472 1.108 . . . . 3.3799999999999999 110.292 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.08 -6.53 28.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.068 . . . . 4.2699999999999996 110.936 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 47.61 43.0 15.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 6.5899999999999999 110.993 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 391' ' ' ARG . . . . . 0.461 ' CZ ' ' OD1' ' A' ' 404' ' ' ASP . 12.4 mtt180 -144.79 154.31 42.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 3.9500000000000002 110.322 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 86.0 m -110.12 118.61 36.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 2.25 110.397 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -83.33 123.76 29.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 3.7799999999999998 111.056 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -110.11 133.71 52.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 3.46 111.026 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . 0.57 ' CD1' HG12 ' A' ' 418' ' ' ILE . 65.7 m-85 -114.36 129.7 56.66 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.56 1.163 . . . . 1.48 111.073 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 96.5 t -118.32 87.74 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 2.5299999999999998 109.314 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.84 -70.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 4.4400000000000004 109.29 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -148.53 58.29 1.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 3.7400000000000002 109.262 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -144.46 157.29 44.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 3.6200000000000001 110.304 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 400' ' ' TYR . . . . . 0.416 ' O ' ' CG ' ' A' ' 400' ' ' TYR . 21.7 t80 -122.87 87.31 2.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 3.48 111.036 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' TRP . . . . . 0.573 ' CH2' ' O ' ' A' ' 411' ' ' ASP . 0.0 OUTLIER -82.76 166.91 18.66 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.996 -1.113 . . . . 7.4800000000000004 107.996 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -155.22 110.21 3.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.403 1.064 . . . . 3.4900000000000002 110.33 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 403' ' ' TYR . . . . . 0.535 ' CE1' ' O ' ' A' ' 404' ' ' ASP . 3.4 t80 -100.51 142.66 31.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 7.1100000000000003 111.018 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . 0.535 ' O ' ' CE1' ' A' ' 403' ' ' TYR . 0.7 OUTLIER -78.99 120.51 23.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 1.76 109.288 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -97.26 -44.12 7.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 3.0600000000000001 110.267 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.36 8.68 12.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 7.5099999999999998 110.287 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 407' ' ' ARG . . . . . 0.432 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.6 OUTLIER -131.13 -44.69 1.03 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.447 1.092 . . . . 5.7300000000000004 110.288 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . 0.432 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 0.9 OUTLIER 80.93 54.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 3.6200000000000001 110.321 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -152.65 98.28 2.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 4.2800000000000002 110.994 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.68 126.27 26.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 3.0800000000000001 111.003 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . 0.573 ' O ' ' CH2' ' A' ' 401' ' ' TRP . 1.5 m-20 -54.38 131.55 62.19 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 2.5899999999999999 109.33 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 117.02 4.77 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 2.6200000000000001 111.071 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 45.92 94.94 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.474 1.109 . . . . 2.0299999999999998 110.995 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 414' ' ' TYR . . . . . 0.542 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 2.0 t80 -132.33 62.56 63.94 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.78 . . . . 2.6299999999999999 110.981 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 415' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.4 Cg_endo -74.99 72.74 4.54 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.526 1.803 . . . . 2.1499999999999999 111.0 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . 0.542 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 3.3 mmtt -90.02 -171.46 3.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 4.0800000000000001 109.289 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 1.3 mt -138.2 144.96 40.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 3.73 109.326 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . 0.57 HG12 ' CD1' ' A' ' 395' ' ' PHE . 2.4 mp -69.15 -67.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 2.21 109.282 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 7.4 t -42.0 -33.18 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 2.4399999999999999 110.383 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -70.01 -69.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 3.27 109.277 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -44.86 -43.81 9.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 3.02 109.399 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 422' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -132.9 112.69 12.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 3.5299999999999998 110.973 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -86.82 121.23 29.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 3.0099999999999998 110.339 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 133.97 -29.71 3.05 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.476 1.11 . . . . 1.5900000000000001 111.019 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 425' ' ' ILE . . . . . 0.478 HG12 ' CD2' ' A' ' 442' ' ' PHE . 3.8 mp -73.37 -76.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 3.96 109.344 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 151.74 162.7 10.96 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.586 1.179 . . . . 1.1399999999999999 111.004 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -15.06 20.92 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.447 1.762 . . . . 1.29 110.96 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . 0.485 ' O ' ' CG ' ' A' ' 444' ' ' GLN . 8.3 mttt -131.79 132.63 43.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 3.8399999999999999 109.33 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.21 159.42 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 2.8599999999999999 109.326 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -107.38 -63.34 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 2.2599999999999998 109.315 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -141.54 146.49 36.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 1.6699999999999999 109.342 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 10.9 m -137.71 145.41 29.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 4.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' PHE . . . . . 0.566 ' CZ ' ' CB ' ' A' ' 441' ' ' TYR . 6.0 p90 -155.09 176.76 12.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 3.9199999999999999 111.068 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -146.09 88.45 1.81 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.528 1.143 . . . . 5.04 111.053 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' SER . . . . . 0.434 ' CB ' HG21 ' A' ' 293' ' ' THR . 0.1 OUTLIER -114.52 -12.78 12.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 3.4900000000000002 109.976 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' LYS . . . . . 0.507 ' HE2' ' CE1' ' A' ' 441' ' ' TYR . 28.5 mmmt -69.33 -166.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.556 1.16 . . . . 4.8700000000000001 109.297 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -96.5 -38.87 9.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 4.21 109.221 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.64 50.42 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 3.5800000000000001 109.277 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -145.99 161.7 39.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 3.46 110.99 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -124.7 105.86 9.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 4.0199999999999996 110.97 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' TYR . . . . . 0.566 ' CB ' ' CZ ' ' A' ' 433' ' ' PHE . 3.2 m-30 -86.43 102.56 14.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 4.4900000000000002 110.995 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . 0.478 ' CD2' HG12 ' A' ' 425' ' ' ILE . 35.9 m-85 -98.13 144.98 27.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 4.5800000000000001 111.007 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' PHE . . . . . 0.635 ' CE2' ' NE2' ' A' ' 448' ' ' GLN . 2.7 m-85 -120.88 118.92 31.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 4.9400000000000004 110.959 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . 0.485 ' CG ' ' O ' ' A' ' 428' ' ' LYS . 3.9 tm0? -133.02 77.22 1.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 4.5700000000000003 110.274 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 100.31 -106.79 3.2 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.406 1.067 . . . . 1.6899999999999999 111.004 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 27.1 p -127.7 31.57 5.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 0.735 . . . . 3.0299999999999998 110.019 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -142.42 130.44 21.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 2.5600000000000001 109.336 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' GLN . . . . . 0.635 ' NE2' ' CE2' ' A' ' 443' ' ' PHE . 44.8 tt0 -111.52 117.31 32.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 3.0899999999999999 110.3 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -105.02 142.91 33.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 4.2000000000000002 111.035 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -110.25 126.96 54.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 3.9300000000000002 110.316 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -108.22 121.52 45.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.386 1.054 . . . . 4.8099999999999996 110.962 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -111.59 126.46 55.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 3.0099999999999998 109.225 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -70.58 -11.72 61.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 4.4400000000000004 110.959 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 14.7 tp -43.71 -38.46 3.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 3.27 109.284 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -167.43 31.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 3.0299999999999998 109.293 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 41.25 68.04 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 3.4900000000000002 110.306 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -142.51 132.58 24.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.537 1.148 . . . . 4.2699999999999996 110.307 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 88.2 mt -94.65 82.87 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.411 1.07 . . . . 2.5899999999999999 109.275 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 10.2 t -102.22 36.01 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 4.3200000000000003 110.476 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.61 109.95 3.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.152 . . . . 4.3300000000000001 109.326 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 7.5 p -124.93 109.59 13.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 3.1400000000000001 110.454 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' LEU . . . . . 0.447 ' CD1' ' HB3' ' A' ' 466' ' ' SER . 1.4 pt? -131.77 155.85 47.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 3.3500000000000001 109.376 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -93.29 156.54 16.75 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.461 1.1 . . . . 3.5699999999999998 109.259 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.449 ' HB2' ' CE1' ' A' ' 443' ' ' PHE . 1.9 t -48.74 -28.01 3.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 2.25 109.949 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -100.25 58.85 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 3.52 109.299 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 466' ' ' SER . . . . . 0.447 ' HB3' ' CD1' ' A' ' 462' ' ' LEU . 11.4 t -113.56 -21.88 10.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 3.1899999999999999 110.056 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -138.96 -59.87 0.59 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.552 1.158 . . . . 5.9400000000000004 108.006 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 468' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -52.26 -61.41 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.603 1.19 . . . . 11.91 110.984 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -84.98 -82.1 1.06 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.544 1.152 . . . . 5.5300000000000002 110.995 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 470' ' ' CYS . . . . . 1.055 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 40.9 m . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 108.289 -1.004 . . . . 5.9199999999999999 108.289 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 471' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 277' ' ' MET . . . . . 0.559 ' HB3' ' CD2' ' A' ' 305' ' ' PHE . 15.1 tpt . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.541 0.21 . . . . 8.9600000000000009 111.012 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -106.52 106.34 57.3 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 6.3200000000000003 110.309 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 279' ' ' PRO . . . . . 0.417 ' O ' ' CB ' ' A' ' 280' ' ' ALA . 18.3 Cg_endo -74.98 -76.33 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 3.8399999999999999 111.005 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 280' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 279' ' ' PRO . . . 168.65 119.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 3.3799999999999999 109.358 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 281' ' ' LEU . . . . . . . . . . . . . 7.8 mt -101.73 77.43 1.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 2.8999999999999999 109.247 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 282' ' ' CYS . . . . . 1.069 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 0.1 OUTLIER 174.94 -76.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 3.6299999999999999 108.33 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -58.94 142.37 85.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 2.7999999999999998 109.315 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.14 78.37 2.95 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.478 1.778 . . . . 2.1000000000000001 110.975 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -154.18 34.35 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 2.8100000000000001 109.313 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 286' ' ' LEU . . . . . 0.581 ' CD2' ' CZ ' ' A' ' 288' ' ' PHE . 6.4 tt -104.27 143.68 32.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 3.4700000000000002 109.314 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 73.6 p -142.34 157.05 45.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 2.4500000000000002 109.997 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 288' ' ' PHE . . . . . 0.581 ' CZ ' ' CD2' ' A' ' 286' ' ' LEU . 81.9 m-85 -127.02 151.88 48.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 4.0700000000000003 110.996 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 289' ' ' ASP . . . . . 0.734 ' O ' 'CA ' ' A' ' 471' ' ' ' CA' . 5.7 m-20 -87.72 -50.23 6.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 2.4199999999999999 109.274 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -142.27 169.21 18.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 1.6299999999999999 109.295 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 291' ' ' VAL . . . . . 0.462 HG23 ' CD1' ' A' ' 433' ' ' PHE . 6.6 m -153.41 139.46 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 3.02 109.304 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 22.9 m -138.72 144.16 39.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 3.75 110.425 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 14.8 t -106.87 146.74 30.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 3.1299999999999999 110.444 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 92.6 t -136.39 112.26 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 3.3300000000000001 109.218 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 55.6 -94.2 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.446 1.091 . . . . 1.9299999999999999 110.993 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -128.82 29.27 5.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 0.774 . . . . 3.46 109.326 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . 0.459 ' CB ' HG11 ' A' ' 310' ' ' VAL . 3.0 mppt? -129.74 169.28 15.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 3.7999999999999998 109.341 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 1.6 pt -132.01 167.9 25.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.582 1.176 . . . . 3.0800000000000001 109.293 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -145.7 133.65 21.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 3.6299999999999999 111.002 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 300' ' ' PHE . . . . . 0.479 ' HB3' ' CE1' ' A' ' 288' ' ' PHE . 57.7 m-85 -112.14 113.9 26.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 3.54 110.986 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 301' ' ' PHE . . . . . 0.57 ' CD1' HD12 ' A' ' 321' ' ' ILE . 40.3 m-85 -84.97 132.79 34.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.46 1.1 . . . . 3.4399999999999999 111.043 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 302' ' ' LYS . . . . . 0.495 ' HG3' ' CE3' ' A' ' 307' ' ' TRP . 1.8 mmmm -131.47 72.99 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 6.1399999999999997 109.261 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 42.7 t0 67.41 -68.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 3.1499999999999999 109.303 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 304' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 302' ' ' LYS . 0.0 OUTLIER -133.08 -32.92 1.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 4.8799999999999999 110.293 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . 0.559 ' CD2' ' HB3' ' A' ' 277' ' ' MET . 56.5 m-85 -86.62 145.2 26.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 3.6499999999999999 111.007 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 306' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 319' ' ' ASN . 30.5 p90 -124.93 141.47 52.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 2.3300000000000001 110.951 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 307' ' ' TRP . . . . . 0.495 ' CE3' ' HG3' ' A' ' 302' ' ' LYS . 1.3 m-90 -97.9 142.64 29.39 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.981 -1.118 . . . . 5.9000000000000004 107.981 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.11 116.59 22.3 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.507 1.129 . . . . 2.9300000000000002 109.272 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -171.47 102.21 0.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.395 1.059 . . . . 4.0499999999999998 109.281 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . 0.459 HG11 ' CB ' ' A' ' 297' ' ' LYS . 5.5 p -172.43 163.5 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 124.437 1.086 . . . . 2.8599999999999999 109.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 24.5 t 68.71 -74.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.138 . . . . 4.1799999999999997 110.027 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -157.55 78.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 5.0999999999999996 110.305 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.43 134.58 23.43 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.632 1.207 . . . . 5.3700000000000001 110.304 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -38.79 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.559 1.82 . . . . 2.6000000000000001 110.995 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.01 159.15 44.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 4.7400000000000002 109.308 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 80.7 p -79.52 128.77 33.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 1.97 110.456 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.81 170.97 15.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 2.2999999999999998 110.02 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 19.4 t -145.59 79.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 3.1200000000000001 109.384 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 306' ' ' PHE . 2.9 m120 -110.17 176.56 5.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 2.21 109.321 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.84 120.23 40.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 2.96 109.303 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 321' ' ' ILE . . . . . 0.57 HD12 ' CD1' ' A' ' 301' ' ' PHE . 71.9 mt -42.12 -59.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 2.7799999999999998 109.268 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.24 -42.46 9.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.16 . . . . 3.5 109.984 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.88 -31.6 50.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 2.6499999999999999 110.026 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 321' ' ' ILE . 0.4 OUTLIER -94.61 -83.94 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 4.0199999999999996 109.263 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 325' ' ' TRP . . . . . 0.495 ' CE2' ' HG ' ' A' ' 328' ' ' LEU . 0.1 OUTLIER -49.2 148.61 4.21 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 107.994 -1.113 . . . . 2.4900000000000002 107.994 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 326' ' ' PRO . . . . . 0.441 ' HG2' ' CG ' ' A' ' 360' ' ' PRO . 18.4 Cg_endo -75.02 -90.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.519 1.8 . . . . 1.0800000000000001 111.002 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 327' ' ' THR . . . . . . . . . . . . . 12.7 t -92.04 -0.28 57.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 2.2999999999999998 110.343 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . 0.495 ' HG ' ' CE2' ' A' ' 325' ' ' TRP . 0.2 OUTLIER -62.78 132.19 94.65 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 3.1600000000000001 109.249 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 329' ' ' PRO . . . . . 0.506 ' HG3' ' CH2' ' A' ' 353' ' ' TRP . 18.2 Cg_endo -75.03 -173.23 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.508 1.794 . . . . 3.25 110.999 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 1.5 m -140.54 172.17 13.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 3.6400000000000001 110.013 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 51.3 51.04 38.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.507 1.13 . . . . 2.3700000000000001 110.98 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 2.4 mp -67.52 156.41 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 0.736 . . . . 2.7799999999999998 109.301 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -84.86 -50.28 7.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 2.7999999999999998 110.312 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -139.08 122.25 16.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 2.1000000000000001 109.282 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -138.01 144.06 40.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 2.3700000000000001 109.358 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 336' ' ' TYR . . . . . 0.503 ' CE2' ' HB2' ' A' ' 385' ' ' PHE . 3.1 p90 -155.41 133.09 11.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 4.2999999999999998 110.982 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.05 144.34 29.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 4.0 110.219 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . 0.452 HD12 ' CD1' ' A' ' 345' ' ' PHE . 95.4 mt -116.37 88.52 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.569 1.168 . . . . 4.5899999999999999 109.252 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.98 86.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 3.5899999999999999 110.279 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -159.28 -52.0 0.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.421 1.076 . . . . 3.0299999999999998 109.262 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -116.93 8.77 13.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 7.9000000000000004 110.309 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 64.6 t30 57.48 68.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 2.9199999999999999 109.373 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -145.09 151.56 38.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 3.0800000000000001 110.295 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 344' ' ' VAL . . . . . 0.402 HG11 ' N ' ' A' ' 345' ' ' PHE . 20.0 t -102.77 149.95 6.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.111 . . . . 2.2999999999999998 109.319 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 345' ' ' PHE . . . . . 0.452 ' CD1' HD12 ' A' ' 338' ' ' ILE . 79.8 m-85 -136.05 128.04 29.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 5.4699999999999998 111.071 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . 0.506 ' CD2' ' N ' ' A' ' 346' ' ' LEU . 0.2 OUTLIER -154.55 133.04 12.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 3.5899999999999999 109.287 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 347' ' ' PHE . . . . . 0.595 ' N ' ' CD1' ' A' ' 347' ' ' PHE . 0.3 OUTLIER -135.04 60.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 5.04 111.08 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 348' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 350' ' ' ASP . 0.2 OUTLIER -50.17 150.47 2.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 3.4700000000000002 109.221 -179.873 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 378' ' ' LYS . 1.2 m-20 44.56 -95.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 4.2000000000000002 109.371 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 350' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 348' ' ' LYS . 2.9 p30 -141.59 15.82 2.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 3.4100000000000001 109.323 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -120.78 138.18 54.15 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 3.23 109.311 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 352' ' ' TYR . . . . . 0.55 ' CB ' ' CD2' ' A' ' 347' ' ' PHE . 43.4 p90 -138.0 157.95 45.32 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.538 1.148 . . . . 4.8399999999999999 110.989 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 353' ' ' TRP . . . . . 0.506 ' CH2' ' HG3' ' A' ' 329' ' ' PRO . 5.6 m-90 -127.55 165.59 19.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 5.9500000000000002 108.052 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 354' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.05 118.39 26.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 3.1699999999999999 109.355 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . 0.455 ' CD1' HD23 ' A' ' 328' ' ' LEU . 1.9 mp -98.77 105.34 17.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 2.6400000000000001 109.261 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 356' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 359' ' ' ARG . 0.7 OUTLIER -114.89 117.21 30.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.57 1.169 . . . . 3.2999999999999998 109.95 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 28.4 t30 71.08 50.97 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 5.0499999999999998 109.302 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 51.23 23.44 1.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 3.77 109.332 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 359' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 356' ' ' SER . 0.1 OUTLIER -139.17 133.0 15.97 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 5.9400000000000004 110.345 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 360' ' ' PRO . . . . . 0.441 ' CG ' ' HG2' ' A' ' 326' ' ' PRO . 18.3 Cg_endo -75.03 176.54 9.79 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.541 1.811 . . . . 1.6499999999999999 110.944 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 361' ' ' GLU . . . . . 0.597 ' OE1' ' CE1' ' A' ' 364' ' ' TYR . 0.7 OUTLIER -80.54 152.74 73.12 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.541 1.151 . . . . 3.1200000000000001 110.342 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 362' ' ' PRO . . . . . 0.451 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.1 Cg_endo -74.97 70.01 5.38 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.481 1.78 . . . . 2.0899999999999999 110.958 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 363' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 0.7 OUTLIER 78.68 91.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 5.2699999999999996 109.267 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 364' ' ' TYR . . . . . 0.597 ' CE1' ' OE1' ' A' ' 361' ' ' GLU . 0.1 OUTLIER -125.28 67.89 56.89 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 3.6800000000000002 110.969 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . 0.439 ' HD3' ' C ' ' A' ' 363' ' ' ASN . 17.9 Cg_endo -75.04 56.41 4.27 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.562 1.822 . . . . 1.76 110.938 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 366' ' ' LYS . . . . . 0.574 ' HE3' ' CD1' ' A' ' 364' ' ' TYR . 18.3 mmtt -79.84 170.66 16.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 4.3399999999999999 109.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.43 133.57 31.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 2.8799999999999999 110.005 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 42.5 pt -54.02 -20.41 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 2.7799999999999998 109.274 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 369' ' ' HIS . . . . . 0.484 ' C ' ' CD2' ' A' ' 369' ' ' HIS . 0.4 OUTLIER -60.92 -14.59 23.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 4.6699999999999999 109.553 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 45.4 m -63.0 -14.36 46.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 2.5499999999999998 110.034 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 175.08 66.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 7.5199999999999996 110.985 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 372' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 374' ' ' PRO . . . -178.47 -60.77 0.07 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.547 1.154 . . . . 2.9100000000000001 110.988 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 373' ' ' PHE . . . . . 0.594 ' CZ ' ' HA ' ' A' ' 375' ' ' ASN . 25.7 t80 -35.17 95.79 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.449 0.735 . . . . 5.9299999999999997 110.966 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 374' ' ' PRO . . . . . 0.532 ' O ' ' CB ' ' A' ' 375' ' ' ASN . 18.3 Cg_endo -75.03 8.96 2.19 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.517 1.799 . . . . 2.3500000000000001 111.01 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 375' ' ' ASN . . . . . 0.594 ' HA ' ' CZ ' ' A' ' 373' ' ' PHE . 9.3 t30 84.1 29.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 7.5 109.372 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -151.94 -59.92 0.16 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 6.5499999999999998 111.031 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 377' ' ' VAL . . . . . 0.434 ' CG1' ' N ' ' A' ' 378' ' ' LYS . 84.3 t -49.68 166.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 3.5299999999999998 109.34 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 378' ' ' LYS . . . . . 0.434 ' N ' ' CG1' ' A' ' 377' ' ' VAL . 0.0 OUTLIER -175.22 -39.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 4.3399999999999999 109.246 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.44 124.56 32.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 3.4300000000000002 109.304 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . 0.4 HG23 ' N ' ' A' ' 381' ' ' ASP . 7.7 mt -93.09 165.48 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 1.8899999999999999 109.36 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 381' ' ' ASP . . . . . 0.4 ' N ' HG23 ' A' ' 380' ' ' ILE . 1.5 m-20 -109.4 -44.01 3.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 2.27 109.285 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 382' ' ' ALA . . . . . 0.4 ' HB3' ' CD1' ' A' ' 395' ' ' PHE . . . -156.52 163.82 38.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 2.4199999999999999 109.354 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -161.65 121.75 2.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 1.8799999999999999 109.266 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . 0.41 ' CG2' HG11 ' A' ' 432' ' ' VAL . 20.0 t -133.13 151.56 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 3.4300000000000002 109.265 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 385' ' ' PHE . . . . . 0.503 ' HB2' ' CE2' ' A' ' 336' ' ' TYR . 31.7 t80 -98.7 149.55 22.71 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.503 1.127 . . . . 2.3199999999999998 110.96 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -130.26 103.6 16.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 2.7200000000000002 109.332 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -17.31 19.73 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.782 . . . . 2.0800000000000001 111.03 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -80.3 -22.81 41.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 3.2599999999999998 110.32 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -121.05 5.23 10.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 4.7300000000000004 111.036 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 46.78 37.84 5.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.168 . . . . 3.5099999999999998 111.061 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -144.14 164.46 30.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 4.2599999999999998 110.341 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 13.9 m -125.89 130.07 50.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 2.0099999999999998 110.415 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -79.96 137.06 36.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 2.8500000000000001 110.994 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 394' ' ' PHE . . . . . 0.438 ' CD2' ' CD1' ' A' ' 403' ' ' TYR . 2.7 m-85 -120.25 100.64 7.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 3.2000000000000002 110.971 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . 0.4 ' CD1' ' HB3' ' A' ' 382' ' ' ALA . 91.1 m-85 -82.93 113.74 20.74 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.485 1.116 . . . . 1.8999999999999999 110.996 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 45.1 t -138.21 125.89 29.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.165 . . . . 2.5699999999999998 109.32 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 4.6 t0 51.08 -152.67 0.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 3.6800000000000002 109.286 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -87.39 50.93 2.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 3.5299999999999998 109.237 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 399' ' ' GLN . . . . . 0.447 ' HB2' ' CZ3' ' A' ' 401' ' ' TRP . 8.1 mp0 -147.09 159.55 43.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 3.8999999999999999 110.309 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 400' ' ' TYR . . . . . 0.567 ' CD1' ' C ' ' A' ' 400' ' ' TYR . 0.1 OUTLIER -117.41 94.98 4.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 4.0099999999999998 110.93 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' TRP . . . . . 0.447 ' CZ3' ' HB2' ' A' ' 399' ' ' GLN . 0.6 OUTLIER -92.2 156.84 17.05 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.928 -1.138 . . . . 7.3399999999999999 107.928 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -153.4 128.35 9.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 3.8100000000000001 110.305 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 403' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 410' ' ' MET . 5.2 m-85 -103.46 170.63 7.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 8.2400000000000002 110.993 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -113.65 126.3 55.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 1.71 109.27 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -82.39 -46.9 12.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 2.8199999999999998 110.312 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -63.4 -63.9 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 7.9900000000000002 110.349 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -57.96 -38.56 76.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 3.5 110.291 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 70.26 46.71 0.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 3.1400000000000001 110.285 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 8.0 tpt -152.46 114.89 4.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 3.9100000000000001 111.018 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 410' ' ' MET . . . . . 0.56 ' HB3' ' CE2' ' A' ' 403' ' ' TYR . 0.0 OUTLIER -52.39 126.24 18.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 3.1499999999999999 111.004 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -42.6 133.29 2.84 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 2.8199999999999998 109.296 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 105.82 2.16 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.519 1.799 . . . . 2.6600000000000001 110.999 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 55.44 97.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.452 1.095 . . . . 2.1099999999999999 110.999 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 414' ' ' TYR . . . . . 0.461 ' N ' ' HD3' ' A' ' 415' ' ' PRO . 1.7 t80 -137.92 60.72 25.05 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 2.5299999999999998 111.015 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 415' ' ' PRO . . . . . 0.461 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.2 Cg_endo -75.02 65.58 6.08 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 1.5800000000000001 110.988 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -89.54 -178.89 5.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 3.46 109.316 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.58 139.47 53.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 3.02 109.277 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . 0.416 ' CD1' ' O ' ' A' ' 399' ' ' GLN . 3.7 mt -70.21 -71.56 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 2.2400000000000002 109.298 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 6.3 t -40.66 -29.39 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.142 . . . . 2.3500000000000001 110.454 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 418' ' ' ILE . 15.1 mttt -68.5 -69.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 2.2599999999999998 109.345 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -46.79 -53.19 12.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 3.0699999999999998 109.298 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 422' ' ' PHE . . . . . 0.493 ' O ' ' CD1' ' A' ' 425' ' ' ILE . 22.1 m-85 -122.44 111.0 16.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 4.2800000000000002 111.006 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.97 69.96 1.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 3.8399999999999999 110.309 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . 0.413 ' C ' HG22 ' A' ' 425' ' ' ILE . . . -161.41 25.23 0.25 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.462 1.101 . . . . 2.1299999999999999 111.033 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 425' ' ' ILE . . . . . 0.559 ' CD1' ' N ' ' A' ' 425' ' ' ILE . 0.2 OUTLIER -147.99 -47.88 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 124.455 0.738 . . . . 3.27 109.308 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 426' ' ' GLY . . . . . 0.412 ' N ' HG12 ' A' ' 425' ' ' ILE . . . 128.82 176.09 14.3 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.496 1.122 . . . . 0.94999999999999996 111.012 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -24.91 12.27 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.541 1.811 . . . . 1.46 111.012 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -127.08 138.27 53.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 3.23 109.315 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 3.4 mp -133.88 129.37 54.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 4.0700000000000003 109.304 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 443' ' ' PHE . 0.9 OUTLIER -54.31 -63.56 1.11 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 2.0699999999999998 109.318 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -160.34 168.33 25.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 2.2200000000000002 109.302 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.516 HG23 ' CE1' ' A' ' 442' ' ' PHE . 3.2 p -157.77 148.1 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 3.1899999999999999 109.282 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' PHE . . . . . 0.462 ' CD1' HG23 ' A' ' 291' ' ' VAL . 3.5 p90 -145.41 163.93 33.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 4.0300000000000002 111.031 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -110.78 83.53 1.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 3.9900000000000002 110.937 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 4.8 t -104.77 -23.14 13.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 3.25 110.023 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 436' ' ' LYS . . . . . 0.554 ' HD3' ' CE1' ' A' ' 441' ' ' TYR . 0.0 OUTLIER -67.93 -168.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 6.8799999999999999 109.367 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -100.39 -21.76 15.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 6.4100000000000001 109.266 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.22 51.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 4.4299999999999997 109.254 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 452' ' ' ASP . 8.5 m-85 -142.4 166.27 25.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 4.4299999999999997 110.994 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' TYR . . . . . 0.526 ' HB3' ' CE2' ' A' ' 442' ' ' PHE . 12.5 m-85 -125.83 104.99 8.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 4.1699999999999999 111.032 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' TYR . . . . . 0.562 ' CE1' ' CG ' ' A' ' 450' ' ' GLU . 2.8 m-85 -91.19 96.62 10.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 4.1200000000000001 110.977 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . 0.542 ' CD2' HG23 ' A' ' 425' ' ' ILE . 70.4 m-85 -96.21 145.77 25.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 4.1299999999999999 111.026 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' PHE . . . . . 0.559 ' CZ ' ' CD ' ' A' ' 448' ' ' GLN . 0.3 OUTLIER -116.07 115.67 26.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 4.6600000000000001 110.971 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -114.68 78.69 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 4.6600000000000001 110.25 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 92.61 -86.76 1.21 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.123 . . . . 2.1899999999999999 111.047 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 12.9 m -141.7 38.33 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 3.8100000000000001 109.97 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -144.31 140.58 29.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 2.2599999999999998 109.275 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 448' ' ' GLN . . . . . 0.559 ' CD ' ' CZ ' ' A' ' 443' ' ' PHE . 4.0 tt0 -113.04 110.49 20.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 3.77 110.28 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -91.91 139.91 30.2 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.605 1.191 . . . . 3.3599999999999999 110.974 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . 0.562 ' CG ' ' CE1' ' A' ' 441' ' ' TYR . 0.7 OUTLIER -104.48 76.17 1.28 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.49 1.119 . . . . 4.7199999999999998 110.275 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -85.09 107.48 17.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.601 1.188 . . . . 4.2199999999999998 110.997 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' ASP . . . . . 0.562 ' HB2' ' CE1' ' A' ' 439' ' ' TYR . 40.3 t0 -100.83 155.21 18.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 3.79 109.296 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 454' ' ' LEU . 47.0 t80 -84.32 -10.71 57.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 4.21 111.02 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 453' ' ' PHE . 14.8 tp -40.12 -44.76 1.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 3.5899999999999999 109.267 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -168.72 32.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 2.77 109.275 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 45.57 66.33 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 3.4700000000000002 110.303 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.7 140.04 29.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 3.7799999999999998 110.277 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 4.6 mt -83.84 115.96 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 3.2400000000000002 109.269 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 10.0 p -88.43 -47.51 8.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 3.6400000000000001 110.363 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -128.11 165.1 21.03 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.111 . . . . 4.2199999999999998 109.292 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 13.6 m -153.99 116.33 4.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 3.6200000000000001 110.396 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 11.9 mt -86.49 178.89 6.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 4.8200000000000003 109.353 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.35 58.66 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 7.0599999999999996 109.309 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.406 ' O ' ' CG ' ' A' ' 465' ' ' ASN . 0.2 OUTLIER 42.51 31.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 3.1299999999999999 110.005 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 464' ' ' SER . 31.6 m-80 -173.59 44.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 2.7999999999999998 109.286 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 1.2 p -64.38 -35.2 80.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 5.0 109.999 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 467' ' ' TRP . . . . . 0.452 ' O ' ' C ' ' A' ' 468' ' ' PHE . 0.3 OUTLIER -165.31 -43.12 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.983 -1.117 . . . . 8.75 107.983 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 468' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' A' ' 467' ' ' TRP . 15.4 m-85 -33.58 -56.2 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 10.4 110.982 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -112.82 -84.56 1.36 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.52 1.138 . . . . 5.4199999999999999 110.975 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 470' ' ' CYS . . . . . 1.069 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 1.4 m . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 108.276 -1.009 . . . . 3.4500000000000002 108.276 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 471' ' ' ' CA' . . . . . 0.734 'CA ' ' O ' ' A' ' 289' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 277' ' ' MET . . . . . 0.448 ' O ' ' CG ' ' A' ' 278' ' ' GLU . 3.1 mpp? . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 120.45 0.167 . . . . 7.6200000000000001 111.025 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 277' ' ' MET . 12.4 pt-20 43.98 64.58 6.84 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 7.9900000000000002 110.313 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 279' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 280' ' ' ALA . 18.4 Cg_endo -75.01 175.31 11.41 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 4.4900000000000002 111.017 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 280' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 279' ' ' PRO . . . -36.26 -34.75 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 5.2699999999999996 109.322 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 281' ' ' LEU . . . . . 0.65 ' CD2' ' CD1' ' A' ' 468' ' ' PHE . 1.3 mt 75.74 1.76 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 3.5899999999999999 109.288 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 282' ' ' CYS . . . . . . . . . . . . . 42.3 t -157.14 51.01 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 3.8300000000000001 108.3 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 283' ' ' ASP . . . . . 0.408 ' HB3' ' OD1' ' A' ' 285' ' ' ASN . 0.7 OUTLIER -146.93 145.25 21.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 4.4800000000000004 109.276 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 68.68 5.77 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.542 1.812 . . . . 3.5 110.92 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 285' ' ' ASN . . . . . 0.408 ' OD1' ' HB3' ' A' ' 283' ' ' ASP . 0.3 OUTLIER -169.59 40.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 3.52 109.379 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.81 154.59 24.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 3.5899999999999999 109.284 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 57.4 p -142.62 176.84 8.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 2.8700000000000001 109.984 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -144.26 178.27 8.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 3.6899999999999999 111.024 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.54 -48.87 1.16 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 2.6000000000000001 109.31 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -147.89 141.08 25.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 1.8 109.345 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 291' ' ' VAL . . . . . . . . . . . . . 1.3 m -140.6 131.42 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 3.1400000000000001 109.333 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 14.2 t -143.69 163.13 34.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 2.2799999999999998 110.385 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 2.6 t -116.42 161.58 18.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 3.1000000000000001 110.377 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 79.4 t -135.5 77.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 2.4500000000000002 109.247 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 74.06 -88.07 0.67 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.548 1.155 . . . . 1.97 111.006 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -115.82 -5.99 12.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 0.787 . . . . 4.4199999999999999 109.276 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -99.83 161.03 13.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 3.3999999999999999 109.296 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 298' ' ' ILE . . . . . 0.448 ' C ' ' CD1' ' A' ' 299' ' ' PHE . 1.4 pt -139.37 144.48 28.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 3.21 109.264 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 299' ' ' PHE . . . . . 0.563 ' CE2' HD23 ' A' ' 308' ' ' LEU . 9.8 m-85 -138.77 167.81 21.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 3.8399999999999999 110.988 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 300' ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' A' ' 300' ' ' PHE . 0.1 OUTLIER -153.11 125.24 7.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 4.6900000000000004 111.022 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 301' ' ' PHE . . . . . 0.566 ' CD1' HD13 ' A' ' 332' ' ' ILE . 97.7 m-85 -104.68 146.28 29.16 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.531 1.144 . . . . 3.21 110.97 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.15 -53.86 2.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 4.5899999999999999 109.333 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 303' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 331' ' ' GLY . 12.6 t0 -169.82 -61.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 3.96 109.247 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 304' ' ' ARG . . . . . 0.571 ' HG2' ' CD2' ' A' ' 305' ' ' PHE . 0.0 OUTLIER -118.17 -22.76 7.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.439 1.087 . . . . 5.3200000000000003 110.242 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . 0.571 ' CD2' ' HG2' ' A' ' 304' ' ' ARG . 79.6 m-85 -103.45 155.53 18.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 4.4400000000000004 110.998 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 306' ' ' PHE . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 319' ' ' ASN . 6.5 p90 -116.01 150.39 37.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 2.8599999999999999 110.945 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 307' ' ' TRP . . . . . 0.562 ' CZ3' ' HB ' ' A' ' 318' ' ' VAL . 48.5 m95 -114.75 144.82 42.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 7.4000000000000004 108.008 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . 0.563 HD23 ' CE2' ' A' ' 299' ' ' PHE . 0.2 OUTLIER -132.46 112.67 12.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.419 1.074 . . . . 2.77 109.292 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -148.52 102.41 3.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 3.4500000000000002 109.244 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . . . . . . . . . 2.2 p -110.7 177.02 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 3.7400000000000002 109.347 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.93 29.55 0.63 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.534 1.146 . . . . 7.5800000000000001 109.965 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -149.33 23.36 0.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.094 . . . . 6.3799999999999999 110.31 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -120.88 134.1 24.25 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.125 . . . . 4.75 110.292 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -24.95 12.34 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.525 1.802 . . . . 2.98 110.935 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -150.65 160.07 44.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 4.1900000000000004 109.355 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 73.4 p -95.95 123.13 39.42 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.535 1.147 . . . . 3.1299999999999999 110.431 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 317' ' ' SER . . . . . 0.448 ' O ' ' CE3' ' A' ' 307' ' ' TRP . 0.6 OUTLIER -87.46 168.02 13.47 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 2.9199999999999999 110.012 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 318' ' ' VAL . . . . . 0.562 ' HB ' ' CZ3' ' A' ' 307' ' ' TRP . 6.2 p -153.36 121.94 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 4.0800000000000001 109.303 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 306' ' ' PHE . 0.9 OUTLIER -143.64 175.83 9.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.404 1.065 . . . . 3.0699999999999998 109.213 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 10.1 tp -81.86 154.78 25.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 3.0600000000000001 109.296 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 321' ' ' ILE . . . . . . . . . . . . . 37.5 mt -68.17 -70.1 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 2.9399999999999999 109.258 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 3.7 t -42.93 -32.41 0.63 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.476 1.11 . . . . 3.4500000000000002 110.003 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.35 -36.59 1.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 2.0600000000000001 109.965 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 5.2 mp -116.19 -58.98 2.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 3.77 109.318 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 325' ' ' TRP . . . . . 0.558 ' CD1' HD21 ' A' ' 328' ' ' LEU . 1.4 m-90 -58.22 152.03 44.06 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 3.6099999999999999 108.0 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -56.69 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.494 1.787 . . . . 1.78 110.978 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 327' ' ' THR . . . . . 0.567 HG22 ' CH2' ' A' ' 353' ' ' TRP . 3.1 t -153.94 104.01 2.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 3.1200000000000001 110.409 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . 0.558 HD21 ' CD1' ' A' ' 325' ' ' TRP . 0.2 OUTLIER -99.8 167.72 10.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 3.6099999999999999 109.315 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 329' ' ' PRO . . . . . 0.475 ' HD2' ' CD1' ' A' ' 328' ' ' LEU . 18.3 Cg_endo -74.99 -16.42 20.24 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.515 1.797 . . . . 4.1799999999999997 111.024 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 53.0 p 58.68 111.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 3.7799999999999998 110.001 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 303' ' ' ASP . . . 104.02 41.56 2.09 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.493 1.12 . . . . 1.6599999999999999 111.013 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.566 HD13 ' CD1' ' A' ' 301' ' ' PHE . 3.0 mt -49.25 102.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 0.785 . . . . 3.1899999999999999 109.382 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -79.73 -35.48 38.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 2.9700000000000002 110.305 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -142.96 122.26 13.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 1.6899999999999999 109.249 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -109.44 115.43 29.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 2.1000000000000001 109.287 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 336' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -108.63 158.94 17.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 4.6699999999999999 111.048 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -155.59 142.74 19.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 3.4100000000000001 110.269 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . . . . . . . . . 2.7 tp -140.64 121.36 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 4.46 109.238 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.18 -41.38 49.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 3.6699999999999999 110.299 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -40.94 -57.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 2.4900000000000002 109.292 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -85.82 -19.07 31.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 3.8999999999999999 110.286 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 4.7 t30 62.66 52.54 2.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 2.23 109.291 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -125.35 178.51 5.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 2.5 110.328 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 344' ' ' VAL . . . . . . . . . . . . . 40.6 t -137.51 135.06 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 2.2000000000000002 109.274 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 345' ' ' PHE . . . . . 0.488 ' CE2' ' CE1' ' A' ' 352' ' ' TYR . 17.0 m-85 -130.34 129.81 43.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 3.79 110.965 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . 0.426 ' CD1' HG23 ' A' ' 332' ' ' ILE . 2.9 mm? -124.01 103.0 8.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 2.6200000000000001 109.346 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -83.62 142.21 30.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 3.2599999999999998 110.959 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 348' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 351' ' ' LYS . 11.7 tmtt? -164.71 125.85 2.1 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.44 1.087 . . . . 3.5899999999999999 109.331 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 50.32 -150.5 0.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 3.0099999999999998 109.346 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 350' ' ' ASP . . . . . 0.435 ' OD1' ' ND1' ' A' ' 369' ' ' HIS . 44.8 t0 -88.26 44.11 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 2.8900000000000001 109.253 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 348' ' ' LYS . 18.5 mttt -155.25 149.73 26.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 2.6299999999999999 109.32 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 352' ' ' TYR . . . . . 0.562 ' C ' ' CD1' ' A' ' 352' ' ' TYR . 0.0 OUTLIER -143.79 127.09 16.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 6.25 111.042 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 353' ' ' TRP . . . . . 0.567 ' CH2' HG22 ' A' ' 327' ' ' THR . 21.4 m95 -95.83 146.88 24.2 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.989 -1.115 . . . . 7.4199999999999999 107.989 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 354' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -108.94 113.01 25.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 4.1900000000000004 109.297 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . 0.483 ' N ' ' CD1' ' A' ' 355' ' ' ILE . 2.1 mp -93.39 92.75 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 2.7000000000000002 109.25 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 1.4 t -96.12 122.29 38.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 2.3700000000000001 110.022 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 357' ' ' ASN . . . . . 0.488 ' O ' ' CD2' ' A' ' 358' ' ' LEU . 45.6 m-20 59.48 47.62 10.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 3.1699999999999999 109.356 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 357' ' ' ASN . 0.3 OUTLIER 55.14 37.02 28.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 3.8799999999999999 109.205 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.82 115.47 3.23 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.14 . . . . 5.6900000000000004 110.295 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 360' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 110.35 3.1 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.444 1.76 . . . . 2.3999999999999999 110.971 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -39.04 128.29 1.23 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 3.9900000000000002 110.376 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 362' ' ' PRO . . . . . 0.428 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.3 Cg_endo -75.03 122.5 7.23 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.475 1.776 . . . . 3.6499999999999999 110.98 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 363' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 4.8 t-20 77.99 54.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.157 . . . . 3.6200000000000001 109.343 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 364' ' ' TYR . . . . . 0.554 ' CD2' ' HD2' ' A' ' 366' ' ' LYS . 0.8 OUTLIER -136.52 60.09 29.42 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 3.2999999999999998 110.993 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . 0.482 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -75.04 53.31 3.31 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.501 1.79 . . . . 1.9299999999999999 110.984 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 366' ' ' LYS . . . . . 0.559 ' HB3' ' CD2' ' A' ' 352' ' ' TYR . 0.3 OUTLIER -62.29 169.51 2.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 3.1400000000000001 109.298 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 367' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 370' ' ' SER . 3.7 m -153.05 144.03 22.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 3.2799999999999998 110.019 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.77 -20.02 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 3.1699999999999999 109.252 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 369' ' ' HIS . . . . . 0.435 ' ND1' ' OD1' ' A' ' 350' ' ' ASP . 0.9 OUTLIER -69.7 -19.15 63.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 5.04 109.661 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 370' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 367' ' ' SER . 0.2 OUTLIER -70.39 -7.06 40.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.404 1.065 . . . . 2.5699999999999998 110.054 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 371' ' ' PHE . . . . . 0.482 ' CD2' ' O ' ' A' ' 371' ' ' PHE . 36.9 p90 -170.84 57.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 8.6500000000000004 111.017 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 372' ' ' GLY . . . . . 0.593 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -171.18 -50.64 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.557 1.161 . . . . 3.2400000000000002 110.933 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 373' ' ' PHE . . . . . 0.593 ' C ' ' O ' ' A' ' 372' ' ' GLY . 22.3 t80 -19.56 92.09 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 6.3399999999999999 110.951 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 374' ' ' PRO . . . . . 0.468 ' N ' ' O ' ' A' ' 372' ' ' GLY . 18.1 Cg_endo -74.98 -55.47 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 2.4900000000000002 111.044 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -134.62 -55.84 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.583 1.177 . . . . 5.5899999999999999 109.3 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -160.44 33.0 0.16 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 8.2100000000000009 110.977 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 377' ' ' VAL . . . . . 0.403 ' CG2' HG11 ' A' ' 396' ' ' VAL . 0.3 OUTLIER -73.43 141.74 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 3.6400000000000001 109.218 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.84 29.75 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 3.52 109.343 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -170.91 122.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 4.1399999999999997 109.308 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 10.0 mt -99.49 144.29 12.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 1.79 109.342 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.58 -47.04 11.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 2.2000000000000002 109.359 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -157.76 169.34 24.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 2.1200000000000001 109.292 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -153.36 118.02 4.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 1.9399999999999999 109.303 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 9.6 p -134.2 171.28 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 3.1099999999999999 109.299 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -135.74 148.29 48.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 2.5499999999999998 110.984 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.5 125.75 29.14 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 3.2400000000000002 109.283 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 387' ' ' PRO . . . . . 0.485 ' O ' ' CE1' ' A' ' 390' ' ' TYR . 18.1 Cg_endo -75.06 -30.54 6.97 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.568 1.825 . . . . 1.9399999999999999 111.045 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 388' ' ' ARG . . . . . 0.46 ' O ' ' CE2' ' A' ' 390' ' ' TYR . 12.1 mmm180 -80.34 -41.26 25.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 2.8799999999999999 110.327 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 389' ' ' PHE . . . . . 0.419 ' O ' ' CG ' ' A' ' 391' ' ' ARG . 0.2 OUTLIER -87.24 -13.38 43.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.173 . . . . 4.0499999999999998 110.991 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 390' ' ' TYR . . . . . 0.485 ' CE1' ' O ' ' A' ' 387' ' ' PRO . 39.5 m-85 48.9 35.06 6.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 4.04 111.028 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 391' ' ' ARG . . . . . 0.419 ' CG ' ' O ' ' A' ' 389' ' ' PHE . 1.4 mtt85 -135.1 145.16 47.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 5.0 110.323 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 81.1 m -98.82 112.46 24.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 1.8 110.421 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -79.22 135.36 36.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 3.25 110.988 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.6 109.57 17.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 4.1600000000000001 110.974 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . 0.403 ' CE1' HG22 ' A' ' 418' ' ' ILE . 22.7 m-85 -90.85 111.61 23.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.131 . . . . 2.21 111.024 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 396' ' ' VAL . . . . . 0.403 HG11 ' CG2' ' A' ' 377' ' ' VAL . 52.5 t -135.03 122.56 37.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.357 1.036 . . . . 2.48 109.333 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 55.89 -151.94 0.38 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 3.96 109.238 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -89.08 48.65 1.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 3.8599999999999999 109.277 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -144.98 164.71 30.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 3.0099999999999998 110.234 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 400' ' ' TYR . . . . . 0.515 ' CD1' ' C ' ' A' ' 400' ' ' TYR . 0.1 OUTLIER -121.95 123.53 41.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 4.2199999999999998 111.0 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -117.12 163.18 16.66 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.018 -1.104 . . . . 6.5700000000000003 108.018 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 402' ' ' ARG . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 402' ' ' ARG . 14.4 ttp-105 -154.58 127.73 8.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 6.3399999999999999 110.295 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -105.68 127.81 53.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 6.8600000000000003 111.076 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.31 131.55 43.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 2.0299999999999998 109.31 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.18 -47.15 4.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 2.6699999999999999 110.291 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -65.0 -37.94 89.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 6.9299999999999997 110.262 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 407' ' ' ARG . . . . . 0.438 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.5 OUTLIER -87.79 -44.99 10.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 2.8900000000000001 110.269 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . 0.438 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 1.3 tt0 81.89 39.76 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 2.6099999999999999 110.325 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -145.18 104.97 4.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 3.5699999999999998 110.978 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.49 126.63 28.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 3.4100000000000001 111.053 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.03 133.02 40.09 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 3.3300000000000001 109.31 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 114.26 3.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.541 1.811 . . . . 2.8799999999999999 111.003 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 53.22 102.01 0.01 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.518 1.136 . . . . 2.2000000000000002 110.97 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 414' ' ' TYR . . . . . 0.514 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 2.1 t80 -144.38 63.07 10.67 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.528 0.781 . . . . 3.5499999999999998 110.978 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 415' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -74.96 76.13 3.47 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.557 1.82 . . . . 1.5800000000000001 110.994 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . 0.514 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 27.4 mmtt -94.45 -174.62 3.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.399 1.062 . . . . 3.8100000000000001 109.316 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.13 135.93 53.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 3.5899999999999999 109.328 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . 0.403 HG22 ' CE1' ' A' ' 395' ' ' PHE . 2.8 mt -65.78 -63.43 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 2.7200000000000002 109.358 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 419' ' ' THR . . . . . 0.469 ' HB ' ' CA ' ' A' ' 427' ' ' PRO . 5.2 t -47.81 -43.92 28.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 2.6000000000000001 110.368 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -61.28 -40.08 92.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 3.0499999999999998 109.342 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -69.99 -61.7 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 3.1800000000000002 109.276 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 422' ' ' PHE . . . . . 0.424 ' CB ' HD12 ' A' ' 425' ' ' ILE . 19.9 m-85 -81.3 -70.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 4.29 111.037 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 423' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 419' ' ' THR . 0.0 OUTLIER 75.89 96.72 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 3.1800000000000002 110.295 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 151.96 -29.47 0.91 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.156 . . . . 1.73 111.011 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 425' ' ' ILE . . . . . 0.432 HG13 ' CD2' ' A' ' 442' ' ' PHE . 0.2 OUTLIER -100.31 -24.92 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 2.96 109.281 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 107.94 159.39 20.4 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.53 1.144 . . . . 1.3600000000000001 110.974 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . 0.469 ' CA ' ' HB ' ' A' ' 419' ' ' THR . 18.3 Cg_endo -75.02 -3.98 14.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.567 1.825 . . . . 2.4900000000000002 111.024 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.3 133.27 54.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.604 1.19 . . . . 3.4300000000000002 109.326 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 7.1 tp -143.87 134.66 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 3.1499999999999999 109.292 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . 0.744 ' O ' 'CA ' ' A' ' 471' ' ' ' CA' . 61.1 t0 -103.49 -56.63 2.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.436 1.085 . . . . 3.98 109.279 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -134.73 150.31 50.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.174 . . . . 1.6499999999999999 109.352 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 9.3 p -156.65 136.71 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 2.8700000000000001 109.289 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 433' ' ' PHE . . . . . 0.41 ' CE1' ' HB2' ' A' ' 441' ' ' TYR . 7.5 p90 -141.3 135.07 30.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 3.8900000000000001 111.04 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -88.8 101.84 14.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 4.3300000000000001 111.037 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -151.29 97.61 2.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 3.1000000000000001 110.008 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 436' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 176.53 -163.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 4.6299999999999999 109.262 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -83.32 -37.95 22.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 6.9100000000000001 109.345 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . 0.54 ' O ' ' CD1' ' A' ' 439' ' ' TYR . 0.0 OUTLIER -178.54 62.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 4.0800000000000001 109.273 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 439' ' ' TYR . . . . . 0.54 ' CD1' ' O ' ' A' ' 438' ' ' LYS . 49.7 m-85 -154.3 172.12 18.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 3.6499999999999999 111.042 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -135.96 140.17 43.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 4.04 110.982 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 441' ' ' TYR . . . . . 0.41 ' HB2' ' CE1' ' A' ' 433' ' ' PHE . 5.9 m-85 -105.09 127.82 53.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 3.4300000000000002 110.976 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . 0.432 ' CD2' HG13 ' A' ' 425' ' ' ILE . 22.5 m-85 -122.4 141.33 51.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 4.3399999999999999 111.05 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 443' ' ' PHE . . . . . 0.537 ' C ' ' CD1' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -150.49 146.3 26.53 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.495 1.122 . . . . 6.7599999999999998 111.03 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -159.28 67.45 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 5.2999999999999998 110.277 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 148.14 -90.37 0.14 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.566 1.166 . . . . 2.1699999999999999 110.973 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 4.5 p -150.66 36.1 0.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.408 0.71 . . . . 2.8599999999999999 109.963 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -146.56 142.18 27.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 3.6699999999999999 109.335 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 448' ' ' GLN . . . . . 0.455 ' CB ' HD22 ' A' ' 462' ' ' LEU . 6.3 mt-30 -123.72 90.22 3.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 4.71 110.294 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -82.98 159.95 22.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 3.4300000000000002 110.982 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -124.84 129.98 51.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 3.7999999999999998 110.35 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -105.98 144.01 33.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 4.6900000000000004 111.054 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -124.66 112.14 16.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 3.1800000000000002 109.271 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -61.42 -12.91 16.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 4.2199999999999998 111.017 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 16.0 tp -57.0 -32.64 66.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 3.3500000000000001 109.296 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.464 ' CD1' ' HD3' ' A' ' 457' ' ' ARG . 1.0 OUTLIER -177.03 44.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 2.79 109.311 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . 0.419 ' NE2' ' O ' ' A' ' 455' ' ' LEU . 3.3 pm0 38.47 45.74 0.88 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.573 1.171 . . . . 6.0300000000000002 110.328 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 457' ' ' ARG . . . . . 0.464 ' HD3' ' CD1' ' A' ' 455' ' ' LEU . 0.5 OUTLIER -93.03 167.99 11.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 3.5600000000000001 110.349 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 2.5 mp -143.17 79.83 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 3.29 109.311 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 1.8 t -102.23 43.31 1.08 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 3.6699999999999999 110.409 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.69 100.74 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 4.0300000000000002 109.297 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 5.3 p -121.76 112.35 18.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 3.3900000000000001 110.384 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 462' ' ' LEU . . . . . 0.455 HD22 ' CB ' ' A' ' 448' ' ' GLN . 0.8 OUTLIER -140.39 170.39 15.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.449 1.093 . . . . 3.5499999999999998 109.328 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.0 168.03 10.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 3.3300000000000001 109.293 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 1.3 t -51.07 -35.18 33.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 2.0699999999999998 110.008 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -99.82 65.97 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 3.71 109.313 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 30.4 t -114.23 -19.83 11.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 3.6699999999999999 109.986 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 467' ' ' TRP . . . . . 0.424 ' O ' ' N ' ' A' ' 469' ' ' GLY . 0.6 OUTLIER -104.77 -56.15 2.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.603 1.189 . . . . 5.6799999999999997 107.989 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 468' ' ' PHE . . . . . 0.65 ' CD1' ' CD2' ' A' ' 281' ' ' LEU . 74.9 m-85 -39.34 -29.61 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.132 . . . . 7.6799999999999997 110.94 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 467' ' ' TRP . . . 101.8 56.61 0.85 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.537 1.148 . . . . 2.6899999999999999 110.978 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 N-CA-C 108.364 -0.976 . . . . 3.4700000000000002 108.364 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 471' ' ' ' CA' . . . . . 0.744 'CA ' ' O ' ' A' ' 430' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 277' ' ' MET . . . . . 0.559 ' HB3' ' CE2' ' A' ' 305' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.513 0.197 . . . . 11.08 111.01 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -136.37 66.83 59.68 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 6.6900000000000004 110.34 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 279' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 280' ' ' ALA . 18.2 Cg_endo -75.04 -75.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.47 1.774 . . . . 4.3700000000000001 111.017 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 280' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 279' ' ' PRO . . . 162.87 -33.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.419 1.074 . . . . 4.79 109.33 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 281' ' ' LEU . . . . . 0.429 HD22 ' CD1' ' A' ' 468' ' ' PHE . 1.3 mt 62.04 20.64 11.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 3.02 109.339 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 282' ' ' CYS . . . . . 1.206 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 1.8 t -130.95 17.31 5.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.423 1.077 . . . . 3.48 108.317 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 283' ' ' ASP . . . . . 0.432 ' O ' ' ND2' ' A' ' 465' ' ' ASN . 1.0 OUTLIER -157.79 152.45 20.83 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 3.5899999999999999 109.34 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 59.3 5.12 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.433 1.754 . . . . 2.21 110.99 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -121.39 24.43 9.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 3.8599999999999999 109.344 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 286' ' ' LEU . . . . . 0.408 ' CD1' ' HG3' ' A' ' 279' ' ' PRO . 5.7 tp -110.62 150.37 29.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 3.79 109.322 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 3.7 p -145.19 167.91 21.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 2.5299999999999998 110.017 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -130.33 171.53 12.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.412 1.07 . . . . 3.0600000000000001 110.994 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -115.97 -53.44 2.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 2.6200000000000001 109.265 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -150.42 150.55 31.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.162 . . . . 1.78 109.315 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 291' ' ' VAL . . . . . 0.523 HG11 ' CD2' ' A' ' 300' ' ' PHE . 3.9 m -138.03 165.99 24.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 3.0299999999999998 109.354 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 1.6 t -149.84 167.11 27.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 2.4399999999999999 110.352 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 293' ' ' THR . . . . . 0.445 ' CG2' ' HB2' ' A' ' 433' ' ' PHE . 82.6 p -120.3 118.19 29.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 4.3099999999999996 110.446 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 294' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 296' ' ' ASN . 62.0 t -122.61 114.38 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 2.73 109.329 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 54.9 -86.77 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 1.97 110.989 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 296' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 294' ' ' VAL . 6.6 p-10 -141.37 25.39 2.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 0.748 . . . . 3.8999999999999999 109.267 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . 0.474 ' HA ' ' CG2' ' A' ' 310' ' ' VAL . 16.1 mtmt -125.04 164.92 19.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 3.46 109.301 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 3.3 pt -141.23 130.3 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 3.4300000000000002 109.307 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -104.42 142.83 33.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 3.52 111.032 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 300' ' ' PHE . . . . . 0.523 ' CD2' HG11 ' A' ' 291' ' ' VAL . 14.8 m-85 -126.95 98.08 5.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.451 1.095 . . . . 3.98 111.044 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 301' ' ' PHE . . . . . 0.424 ' HA ' ' CB ' ' A' ' 306' ' ' PHE . 15.8 m-85 -86.57 157.41 19.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 3.3599999999999999 111.042 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -162.26 74.05 0.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 3.6699999999999999 109.303 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 303' ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' A' ' 304' ' ' ARG . 1.6 m-20 49.65 88.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 3.0099999999999998 109.303 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 304' ' ' ARG . . . . . 0.47 ' HB2' ' O ' ' A' ' 303' ' ' ASP . 0.2 OUTLIER 69.15 -57.6 0.52 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 5.1100000000000003 110.285 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 277' ' ' MET . 2.8 m-85 -78.09 121.66 24.57 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.573 1.171 . . . . 4.2699999999999996 110.99 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 306' ' ' PHE . . . . . 0.564 ' CD2' ' O ' ' A' ' 319' ' ' ASN . 15.5 p90 -128.98 137.53 51.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 2.1800000000000002 111.002 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 307' ' ' TRP . . . . . 0.469 ' CE2' HG21 ' A' ' 318' ' ' VAL . 5.0 m-90 -91.68 146.83 23.46 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.922 -1.14 . . . . 5.4800000000000004 107.922 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -123.3 120.57 33.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 2.9399999999999999 109.324 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.32 114.27 6.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 3.5699999999999998 109.334 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . 0.474 ' CG2' ' HA ' ' A' ' 297' ' ' LYS . 0.5 OUTLIER -136.37 -179.85 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 3.1499999999999999 109.281 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.8 138.32 58.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 6.9000000000000004 110.002 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 69.33 40.55 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 5.8399999999999999 110.266 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 313' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 315' ' ' LYS . 2.5 tpt180 -128.63 94.9 33.86 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.505 1.128 . . . . 4.2599999999999998 110.239 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 1.56 7.58 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.528 1.804 . . . . 4.0899999999999999 111.012 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 315' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 313' ' ' ARG . 13.4 tttt -159.57 160.72 34.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 5.3300000000000001 109.288 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 21.5 p -115.14 151.75 33.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 2.0299999999999998 110.38 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 8.7 t -115.13 119.61 36.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 2.4199999999999999 109.983 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 318' ' ' VAL . . . . . 0.469 HG21 ' CE2' ' A' ' 307' ' ' TRP . 96.2 t -92.13 94.0 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.397 1.061 . . . . 2.8900000000000001 109.295 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . 0.564 ' O ' ' CD2' ' A' ' 306' ' ' PHE . 1.0 OUTLIER -110.29 174.52 5.83 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.522 1.139 . . . . 2.0899999999999999 109.307 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.17 150.06 23.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 3.1499999999999999 109.335 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 321' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 324' ' ' LEU . 4.9 mt -65.42 -62.86 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 1.9399999999999999 109.308 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 8.2 m -46.42 -31.03 2.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 2.46 110.005 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.55 -37.63 88.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 2.1699999999999999 109.971 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 321' ' ' ILE . 14.1 tp -97.2 -73.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 4.5800000000000001 109.313 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 325' ' ' TRP . . . . . 0.421 ' CD1' HD21 ' A' ' 328' ' ' LEU . 0.2 OUTLIER -60.86 151.2 74.38 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 2.29 107.955 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -74.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.419 1.747 . . . . 1.3300000000000001 110.983 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 327' ' ' THR . . . . . 0.448 ' CG2' ' O ' ' A' ' 327' ' ' THR . 11.0 t -128.78 91.06 3.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 2.3500000000000001 110.416 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . 0.421 HD21 ' CD1' ' A' ' 325' ' ' TRP . 4.4 mm? -126.89 161.64 52.28 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 2.9500000000000002 109.345 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 329' ' ' PRO . . . . . 0.507 ' HG3' ' CD2' ' A' ' 353' ' ' TRP . 18.4 Cg_endo -74.95 129.52 12.46 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.612 1.848 . . . . 2.0899999999999999 110.943 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 11.6 m -88.45 136.44 32.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 2.3900000000000001 109.989 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 85.01 42.92 6.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.477 1.111 . . . . 1.22 110.993 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 329' ' ' PRO . 22.1 mm -48.97 134.44 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 3.3900000000000001 109.341 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -94.71 -24.85 16.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.44 1.087 . . . . 2.7200000000000002 110.332 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -167.22 130.43 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 1.9199999999999999 109.323 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -130.23 143.54 50.84 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.523 1.139 . . . . 1.9399999999999999 109.296 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 336' ' ' TYR . . . . . 0.461 ' CE1' ' CB ' ' A' ' 345' ' ' PHE . 13.1 p90 -153.62 125.39 7.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 4.5599999999999996 111.034 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.41 167.29 10.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 4.6600000000000001 110.309 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . . . . . . . . . 6.6 tp -150.14 124.61 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 5.3099999999999996 109.345 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -74.36 -33.08 62.99 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 4.1900000000000004 110.334 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -53.0 -49.36 66.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 2.2999999999999998 109.203 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -93.33 -22.65 18.83 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.557 1.161 . . . . 4.0 110.366 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 24.5 t30 60.29 43.58 13.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.168 . . . . 2.2000000000000002 109.352 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . 0.441 ' HG2' ' CD1' ' A' ' 354' ' ' LEU . 2.4 tt0 -131.35 136.96 48.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 3.54 110.289 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 344' ' ' VAL . . . . . . . . . . . . . 43.9 t -94.78 163.11 2.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 2.27 109.322 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 345' ' ' PHE . . . . . 0.572 ' CE2' HD11 ' A' ' 354' ' ' LEU . 82.1 m-85 -151.37 129.94 12.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 4.29 111.024 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -122.61 122.73 39.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 3.1099999999999999 109.303 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -99.88 144.58 28.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 3.0899999999999999 110.961 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 348' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.32 123.99 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 4.1699999999999999 109.311 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 4.2 t0 51.09 -151.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 3.3100000000000001 109.298 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 350' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -85.93 44.69 1.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 2.9100000000000001 109.319 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -155.26 150.01 26.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 3.7200000000000002 109.249 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 352' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 366' ' ' LYS . 1.0 OUTLIER -125.81 154.51 42.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 5.6399999999999997 110.968 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 353' ' ' TRP . . . . . 0.695 ' NE1' ' CE1' ' A' ' 364' ' ' TYR . 6.2 m-90 -121.96 127.33 50.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 5.9699999999999998 108.0 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 354' ' ' LEU . . . . . 0.572 HD11 ' CE2' ' A' ' 345' ' ' PHE . 1.9 tp -114.94 111.94 21.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 3.0099999999999998 109.236 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . 0.417 ' N ' ' CD1' ' A' ' 355' ' ' ILE . 1.3 mp -107.6 156.4 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 3.52 109.315 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 27.1 t -150.3 125.46 10.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 2.8100000000000001 109.977 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 61.25 37.47 17.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 3.2799999999999998 109.287 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . 0.433 ' O ' ' CG ' ' A' ' 358' ' ' LEU . 0.2 OUTLIER 63.46 33.86 13.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 4.4400000000000004 109.293 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.72 135.13 17.59 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 5.1900000000000004 110.279 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 360' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 140.6 25.86 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.449 1.763 . . . . 2.7200000000000002 110.998 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.62 146.87 47.81 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 2.9100000000000001 110.253 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 3.48 5.6 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.463 1.77 . . . . 3.77 110.976 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 363' ' ' ASN . . . . . 0.446 ' C ' ' HD2' ' A' ' 365' ' ' PRO . 0.8 OUTLIER -126.61 25.27 6.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.088 . . . . 10.91 109.304 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 364' ' ' TYR . . . . . 0.787 ' N ' ' CD ' ' A' ' 365' ' ' PRO . 0.1 OUTLIER -76.58 -31.94 0.99 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 12.550000000000001 111.013 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . 0.787 ' CD ' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -75.08 78.79 2.84 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.424 1.749 . . . . 3.3500000000000001 110.957 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 366' ' ' LYS . . . . . 0.578 ' HB2' ' CE2' ' A' ' 352' ' ' TYR . 9.0 mttm -129.84 166.3 20.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 4.0300000000000002 109.304 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 367' ' ' SER . . . . . 0.421 ' HB3' ' ND1' ' A' ' 369' ' ' HIS . 19.4 m -106.1 117.92 35.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 2.8700000000000001 109.977 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 2.4 pt -57.66 -29.93 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 2.6800000000000002 109.293 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 369' ' ' HIS . . . . . 0.521 ' HB2' ' CG ' ' A' ' 373' ' ' PHE . 1.1 p-80 -52.12 -22.06 3.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 3.9399999999999999 109.552 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 5.8 t -67.0 -9.82 43.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 2.77 110.023 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 371' ' ' PHE . . . . . 0.541 ' C ' ' CD1' ' A' ' 371' ' ' PHE . 0.1 OUTLIER -92.89 20.27 6.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 10.449999999999999 110.97 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . 119.81 -53.36 0.68 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.436 1.085 . . . . 4.4900000000000002 111.006 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 373' ' ' PHE . . . . . 0.521 ' CG ' ' HB2' ' A' ' 369' ' ' HIS . 32.5 t80 59.14 82.14 0.24 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 0.75 . . . . 5.75 110.991 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 374' ' ' PRO . . . . . 0.422 ' HD2' ' CG2' ' A' ' 377' ' ' VAL . 18.1 Cg_endo -75.09 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.498 1.788 . . . . 2.4399999999999999 110.977 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -107.68 64.6 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 6.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 172.85 38.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.146 . . . . 9.8300000000000001 110.936 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 377' ' ' VAL . . . . . 0.422 ' CG2' ' HD2' ' A' ' 374' ' ' PRO . 64.1 t -127.75 147.46 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 3.48 109.285 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 2.4 mtmm 174.26 -36.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 4.8399999999999999 109.24 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 10.4 pttt -158.36 135.62 10.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.441 1.088 . . . . 2.8700000000000001 109.323 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 21.5 mt -100.13 167.49 2.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 1.8799999999999999 109.317 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 381' ' ' ASP . . . . . 0.868 ' O ' 'CA ' ' A' ' 471' ' ' ' CA' . 1.1 t0 -108.53 -47.69 3.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.588 1.18 . . . . 2.4900000000000002 109.273 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -158.38 167.94 28.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 1.5900000000000001 109.278 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -137.67 117.33 13.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.128 . . . . 2.25 109.325 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . 0.434 ' CG2' ' HB2' ' A' ' 393' ' ' TYR . 35.1 m -123.0 130.39 74.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.148 . . . . 4.4699999999999998 109.282 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -110.54 135.59 50.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 2.3500000000000001 111.007 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.57 123.62 31.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.179 . . . . 2.9900000000000002 109.278 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -17.78 19.28 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.512 1.796 . . . . 1.8799999999999999 110.961 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -73.83 -31.65 63.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 3.0299999999999998 110.345 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -114.0 -4.21 13.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 4.2300000000000004 110.941 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 53.32 19.13 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 5.3600000000000003 111.042 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.03 159.08 21.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 5.3899999999999997 110.285 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 43.8 m -117.96 122.79 44.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.072 . . . . 1.7 110.403 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . 0.434 ' HB2' ' CG2' ' A' ' 384' ' ' VAL . 10.8 m-30 -87.93 134.5 33.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.385 1.053 . . . . 3.1600000000000001 111.019 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -118.42 135.02 54.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 3.6200000000000001 111.022 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . 0.474 ' CD1' HG12 ' A' ' 418' ' ' ILE . 17.0 m-85 -106.14 116.19 31.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 1.73 110.999 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 396' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 398' ' ' ASN . 45.0 t -106.42 82.09 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 2.8399999999999999 109.323 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 69.23 -65.32 0.3 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.549 1.155 . . . . 3.9900000000000002 109.29 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 396' ' ' VAL . 46.9 p-10 -152.87 55.82 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 3.5699999999999998 109.261 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -144.86 155.62 43.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 3.0600000000000001 110.311 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -123.15 95.89 4.78 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.572 1.17 . . . . 3.8500000000000001 111.058 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -97.36 164.89 12.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 6.71 108.002 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -149.63 117.45 6.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 3.3599999999999999 110.352 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 403' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 404' ' ' ASP . 10.1 t80 -109.32 136.07 49.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 5.3700000000000001 110.972 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . 0.596 ' O ' ' CE1' ' A' ' 403' ' ' TYR . 0.4 OUTLIER -81.81 129.13 34.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 1.8100000000000001 109.267 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -98.21 -41.79 7.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 3.7599999999999998 110.355 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? -71.31 -27.71 63.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 7.0700000000000003 110.26 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 407' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.5 OUTLIER -98.98 -43.94 6.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 3.2599999999999998 110.269 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . 0.471 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 2.2 tt0 83.75 31.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 3.5800000000000001 110.289 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 7.2 tpt -135.66 96.62 3.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.167 . . . . 2.8300000000000001 110.972 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 410' ' ' MET . . . . . 0.416 ' HB3' ' CD2' ' A' ' 403' ' ' TYR . 0.0 OUTLIER -56.67 135.36 55.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 2.7599999999999998 110.986 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.87 139.33 17.06 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 2.4300000000000002 109.33 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 108.67 2.77 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.573 1.828 . . . . 2.6899999999999999 110.982 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 51.16 102.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 1.8999999999999999 110.974 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 414' ' ' TYR . . . . . 0.576 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 2.5 t80 -135.61 63.16 52.47 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.476 0.75 . . . . 2.4100000000000001 110.995 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 415' ' ' PRO . . . . . 0.411 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.4 Cg_endo -75.0 71.34 5.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.555 1.819 . . . . 1.5900000000000001 111.015 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . 0.576 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 17.2 mmtt -96.35 -174.17 2.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.15 . . . . 3.21 109.343 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.8 tp -132.92 145.22 50.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 3.4900000000000002 109.327 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . 0.474 HG12 ' CD1' ' A' ' 395' ' ' PHE . 1.1 mp -68.62 -69.57 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.453 1.096 . . . . 2.4500000000000002 109.262 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 419' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 418' ' ' ILE . 6.6 t -38.92 -31.15 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 1.8799999999999999 110.371 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 418' ' ' ILE . 45.1 mttt -69.42 -68.73 0.39 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 2.1899999999999999 109.266 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.66 -50.48 54.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 3.6299999999999999 109.342 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 422' ' ' PHE . . . . . 0.528 ' HB3' ' CE2' ' A' ' 451' ' ' TYR . 67.0 m-85 -121.57 103.1 8.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 3.71 111.05 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -89.57 73.81 7.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 2.52 110.277 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . 0.43 ' C ' ' CG2' ' A' ' 425' ' ' ILE . . . -173.11 32.64 0.11 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.481 1.113 . . . . 2.6400000000000001 111.019 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 425' ' ' ILE . . . . . 0.512 HG22 ' CE2' ' A' ' 442' ' ' PHE . 0.2 OUTLIER -151.27 -44.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.46 0.741 . . . . 3.3999999999999999 109.315 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 426' ' ' GLY . . . . . 0.442 ' N ' HG12 ' A' ' 425' ' ' ILE . . . 120.25 166.78 13.28 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.87 111.026 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -11.63 21.41 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.542 1.811 . . . . 1.25 111.026 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.54 136.69 54.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 4.0099999999999998 109.257 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 429' ' ' ILE . . . . . 0.46 HG23 ' CD2' ' A' ' 395' ' ' PHE . 7.0 tp -131.02 161.08 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 2.7400000000000002 109.289 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 443' ' ' PHE . 1.0 OUTLIER -115.37 -63.84 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 2.9500000000000002 109.25 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -142.57 142.95 32.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 1.5900000000000001 109.349 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.412 ' CG2' HG12 ' A' ' 429' ' ' ILE . 11.7 t -141.92 139.28 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 3.6400000000000001 109.242 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 433' ' ' PHE . . . . . 0.45 ' CE2' ' CE1' ' A' ' 443' ' ' PHE . 8.0 p90 -143.55 147.89 35.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 3.6299999999999999 111.024 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -98.58 88.18 4.02 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.434 1.084 . . . . 4.6900000000000004 110.995 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 10.2 p -133.04 96.31 3.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.404 1.065 . . . . 3.1600000000000001 110.027 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 436' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt 174.24 -161.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 4.6799999999999997 109.238 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -93.42 -36.88 12.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 4.7800000000000002 109.364 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -174.82 57.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 3.6800000000000002 109.32 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -144.84 161.61 38.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 3.2000000000000002 110.997 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -122.69 124.03 42.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 5.0899999999999999 110.99 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 441' ' ' TYR . . . . . 0.564 ' CE1' ' HG3' ' A' ' 450' ' ' GLU . 4.6 m-85 -98.22 133.52 42.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 3.5600000000000001 111.043 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . 0.512 ' CE2' HG22 ' A' ' 425' ' ' ILE . 82.4 m-85 -124.75 132.73 53.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 4.0599999999999996 111.067 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 443' ' ' PHE . . . . . 0.45 ' CE1' ' CE2' ' A' ' 433' ' ' PHE . 9.6 m-85 -116.39 114.44 24.29 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.132 . . . . 6.1200000000000001 110.991 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 425' ' ' ILE . 1.2 mt-30 -117.46 79.71 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 5.8700000000000001 110.32 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 96.35 -101.86 2.7 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.459 1.1 . . . . 2.73 110.963 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 79.1 p -107.09 -48.36 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.746 . . . . 3.1800000000000002 110.004 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -80.15 146.73 31.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 2.4500000000000002 109.295 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -132.6 127.61 35.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 3.5899999999999999 110.301 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -99.48 162.37 13.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 3.5899999999999999 111.027 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . 0.564 ' HG3' ' CE1' ' A' ' 441' ' ' TYR . 1.4 tt0 -124.79 141.77 51.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 2.96 110.269 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 451' ' ' TYR . . . . . 0.528 ' CE2' ' HB3' ' A' ' 422' ' ' PHE . 0.9 OUTLIER -106.65 137.35 44.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 3.79 110.977 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -116.25 90.43 3.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 3.7400000000000002 109.294 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -48.86 -24.44 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 5.3200000000000003 111.048 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 10.4 tp -42.28 -37.04 1.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 3.1400000000000001 109.321 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -166.29 32.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.534 1.146 . . . . 2.7999999999999998 109.333 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 41.0 69.22 0.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 4.1600000000000001 110.271 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.4 154.1 50.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 4.0599999999999996 110.334 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 458' ' ' ILE . . . . . 0.429 ' CD1' ' CA ' ' A' ' 424' ' ' GLY . 13.8 mt -117.41 102.38 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 2.48 109.276 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 3.2 t -126.24 39.11 4.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 3.3100000000000001 110.448 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.51 102.89 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 4.2999999999999998 109.341 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 14.6 p -133.95 119.82 19.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.092 . . . . 3.1600000000000001 110.41 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.37 178.8 7.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 3.1200000000000001 109.296 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.86 164.15 12.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.495 1.122 . . . . 3.4500000000000002 109.275 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 1.5 t -51.69 -47.26 63.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 2.6699999999999999 110.003 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 283' ' ' ASP . 8.8 p30 -92.1 59.98 3.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 2.9500000000000002 109.297 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 22.4 t -109.99 -12.46 14.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 3.1699999999999999 110.025 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -107.28 -36.19 6.6 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.958 -1.127 . . . . 4.9699999999999998 107.958 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 468' ' ' PHE . . . . . 0.429 ' CD1' HD22 ' A' ' 281' ' ' LEU . 64.6 t80 -47.75 -41.79 23.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 8.5999999999999996 110.923 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 121.18 43.18 0.44 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 3.1099999999999999 111.014 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 470' ' ' CYS . . . . . 1.206 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 108.288 -1.004 . . . . 3.5299999999999998 108.288 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 471' ' ' ' CA' . . . . . 0.868 'CA ' ' O ' ' A' ' 381' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 277' ' ' MET . . . . . . . . . . . . . 32.4 mtm . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 120.525 0.202 . . . . 10.539999999999999 111.046 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.37 157.39 38.76 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 8.8300000000000001 110.291 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 159.72 41.03 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.558 1.82 . . . . 4.1200000000000001 111.013 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 280' ' ' ALA . . . . . . . . . . . . . . . -49.74 128.92 19.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 3.79 109.297 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 281' ' ' LEU . . . . . 0.564 HD23 ' CH2' ' A' ' 307' ' ' TRP . 0.7 OUTLIER -94.5 24.15 4.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 3.3900000000000001 109.257 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 282' ' ' CYS . . . . . 1.183 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 1.3 t -156.89 38.86 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 3.46 108.32 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -144.77 138.68 14.63 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 3.9399999999999999 109.24 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 80.63 2.39 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.422 1.749 . . . . 2.6800000000000002 110.983 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -174.43 49.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 3.0600000000000001 109.299 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.53 157.49 18.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.598 1.186 . . . . 4.3300000000000001 109.32 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 37.5 p -143.8 166.33 25.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 2.6899999999999999 109.982 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -131.58 172.11 12.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 4.0899999999999999 111.021 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.36 -52.45 2.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 2.2599999999999998 109.281 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -143.79 151.13 39.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 1.78 109.288 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 291' ' ' VAL . . . . . . . . . . . . . 9.0 t -140.75 140.44 33.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 3.1499999999999999 109.323 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 292' ' ' THR . . . . . 0.445 ' HB ' ' CB ' ' A' ' 335' ' ' ALA . 1.8 t -144.48 168.09 20.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 2.6800000000000002 110.41 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 293' ' ' THR . . . . . 0.457 ' O ' ' CG ' ' A' ' 337' ' ' GLU . 51.8 m -123.19 148.39 45.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 3.8900000000000001 110.383 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 294' ' ' VAL . . . . . 0.433 ' CG1' ' HB2' ' A' ' 297' ' ' LYS . 9.8 p -137.95 67.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 3.7400000000000002 109.319 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 94.4 -86.81 1.07 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.435 1.084 . . . . 2.0299999999999998 110.967 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -134.35 12.66 3.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 0.747 . . . . 3.3900000000000001 109.375 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . 0.433 ' HB2' ' CG1' ' A' ' 294' ' ' VAL . 9.5 mtmt -109.25 164.89 12.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 3.3100000000000001 109.351 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 298' ' ' ILE . . . . . 0.537 ' CD1' ' CZ ' ' A' ' 300' ' ' PHE . 2.4 pp -135.6 150.43 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 4.3200000000000003 109.217 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 299' ' ' PHE . . . . . 0.559 ' CE2' HD21 ' A' ' 308' ' ' LEU . 24.2 m-85 -140.7 119.03 12.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 4.4000000000000004 111.042 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 300' ' ' PHE . . . . . 0.537 ' CZ ' ' CD1' ' A' ' 298' ' ' ILE . 8.6 m-85 -106.5 108.71 20.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 3.6099999999999999 111.001 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -86.91 144.96 26.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 4.2199999999999998 111.021 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.15 -58.92 1.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 3.7000000000000002 109.315 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -166.33 -60.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 2.9399999999999999 109.271 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.44 -15.28 10.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 5.8099999999999996 110.262 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -122.77 165.36 16.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 3.6699999999999999 110.986 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 306' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -134.78 154.87 51.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 2.0299999999999998 110.961 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 307' ' ' TRP . . . . . 0.564 ' CH2' HD23 ' A' ' 281' ' ' LEU . 18.5 m0 -102.64 160.97 14.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 6.2000000000000002 108.034 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . 0.559 HD21 ' CE2' ' A' ' 299' ' ' PHE . 2.2 tm? -146.64 74.06 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 2.75 109.28 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 13.4 tptp -103.36 92.12 4.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 3.9100000000000001 109.343 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . 0.507 ' O ' ' CD ' ' A' ' 313' ' ' ARG . 0.6 OUTLIER -175.65 -179.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 2.8300000000000001 109.293 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 311' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 312' ' ' GLU . 14.2 t 40.28 90.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.579 1.174 . . . . 5.3200000000000003 110.032 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 312' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 311' ' ' SER . 0.4 OUTLIER 37.36 70.79 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 4.1799999999999997 110.283 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 313' ' ' ARG . . . . . 0.507 ' CD ' ' O ' ' A' ' 310' ' ' VAL . 0.1 OUTLIER -115.15 106.3 51.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 4.2000000000000002 110.307 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -10.61 21.23 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.529 1.805 . . . . 2.2000000000000002 110.98 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -166.23 160.08 15.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 4.75 109.289 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 24.8 p -77.19 163.94 26.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 2.1000000000000001 110.382 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 26.5 p -120.86 164.82 16.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 4.2599999999999998 109.997 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 95.2 t -148.98 90.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 2.7999999999999998 109.268 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -124.36 173.16 8.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 2.3100000000000001 109.307 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 1.5 tt -90.2 153.21 20.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.148 . . . . 2.9399999999999999 109.287 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 321' ' ' ILE . . . . . . . . . . . . . 2.2 mp -61.07 -67.44 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 2.3500000000000001 109.377 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.76 -33.33 1.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.165 . . . . 3.1400000000000001 109.989 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 3.3 t -44.08 -43.68 7.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 1.8300000000000001 109.991 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 2.2 mp -103.07 -79.05 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 2.9700000000000002 109.348 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -49.05 154.01 1.43 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 2.0899999999999999 108.017 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -80.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.469 1.773 . . . . 1.1699999999999999 111.006 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 327' ' ' THR . . . . . . . . . . . . . 5.0 t -123.7 97.73 5.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 2.3300000000000001 110.436 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -132.82 152.69 80.31 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 3.1699999999999999 109.342 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 329' ' ' PRO . . . . . 0.544 ' HG3' ' CE3' ' A' ' 353' ' ' TRP . 18.3 Cg_endo -75.0 132.22 15.17 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.513 1.796 . . . . 2.0600000000000001 111.035 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 7.3 p -97.08 150.06 21.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 2.2599999999999998 109.964 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 88.92 22.02 40.41 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.55 1.156 . . . . 1.47 111.014 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 1.9 mt -42.31 151.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 2.3900000000000001 109.318 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.37 -36.45 3.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 3.8799999999999999 110.335 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -132.6 110.32 10.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 1.9399999999999999 109.354 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . 0.445 ' CB ' ' HB ' ' A' ' 292' ' ' THR . . . -105.57 120.02 40.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.421 1.076 . . . . 2.1099999999999999 109.356 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 336' ' ' TYR . . . . . 0.428 ' CG ' ' N ' ' A' ' 337' ' ' GLU . 41.2 t80 -116.32 162.57 17.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.466 1.103 . . . . 5.0 111.065 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 337' ' ' GLU . . . . . 0.457 ' CG ' ' O ' ' A' ' 293' ' ' THR . 36.4 tp10 -133.09 130.02 38.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 3.8399999999999999 110.318 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . 0.472 ' CG2' ' HB2' ' A' ' 343' ' ' GLN . 9.1 tt -97.03 84.52 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.606 1.191 . . . . 5.5599999999999996 109.341 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.53 68.91 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 3.5800000000000001 110.345 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -157.57 -52.75 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 2.7000000000000002 109.251 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.63 8.42 44.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 5.5300000000000002 110.303 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 61.0 t30 55.38 68.78 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 2.2999999999999998 109.328 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . 0.472 ' HB2' ' CG2' ' A' ' 338' ' ' ILE . 34.3 mt-30 -145.08 178.96 7.67 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.458 1.099 . . . . 2.8700000000000001 110.29 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 344' ' ' VAL . . . . . . . . . . . . . 67.0 t -127.08 146.03 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 2.4900000000000002 109.262 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 345' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -126.77 129.28 48.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 3.9500000000000002 110.999 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -130.64 139.47 50.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.615 1.197 . . . . 2.9100000000000001 109.287 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -117.53 149.02 41.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 3.3900000000000001 111.025 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 348' ' ' LYS . . . . . 0.507 ' O ' ' C ' ' A' ' 349' ' ' ASP . 9.4 ttpt -124.46 59.62 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 6.2999999999999998 109.282 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . 0.507 ' C ' ' O ' ' A' ' 348' ' ' LYS . 20.8 m-20 32.0 49.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 6.7999999999999998 109.254 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 350' ' ' ASP . . . . . 0.461 ' O ' ' CG2' ' A' ' 368' ' ' ILE . 0.5 OUTLIER 162.4 -72.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.535 1.147 . . . . 4.1500000000000004 109.309 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 348' ' ' LYS . 16.3 mttt -104.53 159.14 15.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 3.79 109.296 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 352' ' ' TYR . . . . . 0.534 ' CD1' ' N ' ' A' ' 352' ' ' TYR . 2.1 p90 -146.36 128.02 15.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 4.0800000000000001 110.943 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 353' ' ' TRP . . . . . 0.544 ' CE3' ' HG3' ' A' ' 329' ' ' PRO . 3.1 m-90 -90.3 177.8 6.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 4.7400000000000002 108.031 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 354' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.5 114.83 7.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 3.9500000000000002 109.26 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 5.2 mp -87.85 101.78 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 2.75 109.288 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 356' ' ' SER . . . . . 0.407 ' HB2' ' NE2' ' A' ' 343' ' ' GLN . 0.4 OUTLIER -98.97 118.67 36.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 2.0499999999999998 110.02 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 60.69 37.07 19.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 3.4300000000000002 109.265 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 4.3 mt 68.92 35.61 2.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 5.1399999999999997 109.282 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.3 116.62 2.97 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 5.6699999999999999 110.345 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 360' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 123.72 8.12 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.576 1.829 . . . . 1.27 110.969 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -52.04 129.3 39.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 3.2799999999999998 110.309 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 143.55 29.25 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.414 1.744 . . . . 2.5299999999999998 110.988 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 363' ' ' ASN . . . . . . . . . . . . . 5.3 m120 60.04 61.49 1.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 4.4699999999999998 109.294 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 364' ' ' TYR . . . . . 0.525 ' CG ' ' HE3' ' A' ' 366' ' ' LYS . 0.2 OUTLIER -132.9 60.58 50.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 4.3600000000000003 110.934 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . 0.459 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -74.95 43.98 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 2.0499999999999998 110.976 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 366' ' ' LYS . . . . . 0.525 ' HE3' ' CG ' ' A' ' 364' ' ' TYR . 0.1 OUTLIER -44.8 141.1 2.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 3.6600000000000001 109.295 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -127.5 126.1 41.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 2.8300000000000001 109.97 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . 0.483 HG23 ' CD1' ' A' ' 352' ' ' TYR . 12.4 pt -64.62 -35.37 74.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.405 1.065 . . . . 2.6200000000000001 109.32 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -33.28 75.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 4.1500000000000004 109.563 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.98 -8.65 39.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 2.6899999999999999 109.994 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -89.04 7.61 33.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 6.3200000000000003 110.95 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . 124.55 -30.77 4.6 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.47 1.106 . . . . 4.6699999999999999 110.962 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 373' ' ' PHE . . . . . . . . . . . . . 69.6 t80 55.23 94.24 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.445 0.733 . . . . 5.9900000000000002 110.984 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 374' ' ' PRO . . . . . 0.56 ' HB3' ' CZ2' ' A' ' 401' ' ' TRP . 18.4 Cg_endo -75.09 -161.0 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 3.02 111.006 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 375' ' ' ASN . . . . . 0.466 ' O ' ' C ' ' A' ' 376' ' ' PHE . 83.4 m-20 -53.02 89.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 7.5800000000000001 109.26 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 376' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 374' ' ' PRO . 76.1 m-85 32.68 74.97 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 5.71 110.96 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 377' ' ' VAL . . . . . 0.471 ' CG2' ' HG2' ' A' ' 374' ' ' PRO . 95.4 t -118.76 81.85 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 4.1399999999999997 109.326 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.16 -19.61 13.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 5.6900000000000004 109.276 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -127.3 122.54 34.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 3.54 109.289 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 60.7 mt -100.94 157.49 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.445 1.09 . . . . 2.25 109.316 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -93.78 -49.56 5.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 2.27 109.343 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -158.43 164.48 36.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 1.6399999999999999 109.31 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 383' ' ' ALA . . . . . 0.553 ' HB2' ' CE1' ' A' ' 394' ' ' PHE . . . -154.42 123.76 6.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.579 1.175 . . . . 1.5800000000000001 109.32 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 385' ' ' PHE . 2.3 t -148.83 158.65 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 3.6000000000000001 109.349 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 385' ' ' PHE . . . . . 0.422 ' N ' ' CG1' ' A' ' 384' ' ' VAL . 69.1 t80 -87.98 155.08 20.01 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 3.48 110.956 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -119.3 102.87 47.91 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 2.8700000000000001 109.298 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 387' ' ' PRO . . . . . 0.413 ' C ' ' HG2' ' A' ' 388' ' ' ARG . 18.1 Cg_endo -75.02 49.6 2.3 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.506 1.793 . . . . 3.96 110.932 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 388' ' ' ARG . . . . . 0.413 ' HG2' ' C ' ' A' ' 387' ' ' PRO . 2.4 mmm180 -155.78 -39.52 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 3.7599999999999998 110.3 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -103.32 -1.39 28.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 4.2400000000000002 110.978 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 52.79 34.97 17.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 4.3499999999999996 110.973 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -140.43 159.85 41.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 4.6399999999999997 110.267 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 93.5 m -97.27 116.23 29.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 1.74 110.37 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -84.02 101.06 11.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 3.0600000000000001 111.081 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 394' ' ' PHE . . . . . 0.553 ' CE1' ' HB2' ' A' ' 383' ' ' ALA . 37.1 m-85 -97.13 131.55 43.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 3.5299999999999998 110.974 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -102.83 115.98 31.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 1.6000000000000001 110.999 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 396' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 398' ' ' ASN . 11.4 t -109.98 92.92 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 3.04 109.231 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 59.0 -88.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 3.6600000000000001 109.265 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 396' ' ' VAL . 48.4 t-20 -135.59 49.94 2.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 4.0899999999999999 109.345 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -149.76 161.0 43.1 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.488 1.117 . . . . 3.5299999999999998 110.308 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 400' ' ' TYR . . . . . 0.563 ' CE2' ' HA ' ' A' ' 418' ' ' ILE . 0.1 OUTLIER -120.32 110.55 16.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 5.6500000000000004 111.009 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' TRP . . . . . 0.56 ' CZ2' ' HB3' ' A' ' 374' ' ' PRO . 3.9 m95 -113.75 94.67 4.95 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.982 -1.118 . . . . 7.0700000000000003 107.982 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.57 121.77 28.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 4.2199999999999998 110.303 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -99.85 158.3 15.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 6.6600000000000001 110.95 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -99.8 122.72 43.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 2.5600000000000001 109.306 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.11 -54.31 4.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 3.3900000000000001 110.28 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -32.63 74.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 5.79 110.328 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.27 -43.77 11.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 3.5600000000000001 110.285 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 75.97 42.8 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 2.9500000000000002 110.284 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -145.64 107.42 4.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 2.9199999999999999 111.016 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.26 127.92 34.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 2.9700000000000002 111.077 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.74 137.4 24.85 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 2.8999999999999999 109.298 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 114.96 4.15 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.452 1.764 . . . . 2.79 110.964 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 44.34 95.31 0.01 OUTLIER Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.534 1.146 . . . . 2.23 110.952 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 414' ' ' TYR . . . . . 0.444 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 1.7 t80 -134.02 63.16 61.09 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.556 0.797 . . . . 2.7200000000000002 110.953 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 415' ' ' PRO . . . . . 0.417 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -75.0 76.41 3.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 1.8999999999999999 111.037 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . 0.444 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 23.3 mmtt -89.13 -170.78 3.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 3.3799999999999999 109.256 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.44 139.64 44.27 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.508 1.13 . . . . 3.4700000000000002 109.244 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . 0.563 ' HA ' ' CE2' ' A' ' 400' ' ' TYR . 7.4 mt -70.32 -66.13 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 2.3399999999999999 109.323 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 419' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 422' ' ' PHE . 5.5 t -44.67 -47.56 10.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 2.3199999999999998 110.343 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -58.35 -74.7 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.097 . . . . 2.6000000000000001 109.35 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -40.22 -40.54 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 4.2699999999999996 109.27 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 422' ' ' PHE . . . . . 0.565 ' CE2' ' HG2' ' A' ' 456' ' ' GLN . 24.5 m-85 -142.73 118.55 10.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 4.6200000000000001 111.008 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -98.68 115.09 27.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 2.9500000000000002 110.326 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 157.68 -35.76 0.54 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.533 1.146 . . . . 1.6200000000000001 111.014 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 425' ' ' ILE . . . . . 0.568 HG23 ' CE2' ' A' ' 451' ' ' TYR . 0.0 OUTLIER -86.81 -36.95 10.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.569 0.805 . . . . 3.5099999999999998 109.261 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 111.65 174.2 19.73 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.532 1.145 . . . . 1.3 110.978 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . 0.402 ' N ' ' HB ' ' A' ' 419' ' ' THR . 18.5 Cg_endo -74.97 -20.3 17.07 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.481 1.779 . . . . 1.3799999999999999 111.048 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -122.47 142.18 50.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 3.9700000000000002 109.289 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 429' ' ' ILE . . . . . 0.56 HG12 ' CD1' ' A' ' 442' ' ' PHE . 2.6 tp -138.05 130.84 40.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.443 1.089 . . . . 2.5600000000000001 109.322 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 443' ' ' PHE . 4.1 t0 -71.82 -68.18 0.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 2.2400000000000002 109.25 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -158.48 174.51 14.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 2.3399999999999999 109.256 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.569 ' HB ' ' CD1' ' A' ' 442' ' ' PHE . 0.7 OUTLIER -159.8 164.2 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 3.4199999999999999 109.344 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 433' ' ' PHE . . . . . 0.496 ' N ' ' CG2' ' A' ' 432' ' ' VAL . 4.7 p90 -152.69 145.74 24.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 3.8700000000000001 111.006 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 434' ' ' TYR . . . . . 0.427 ' O ' ' CG ' ' A' ' 434' ' ' TYR . 22.2 t80 -109.35 80.2 1.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 4.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 22.6 t -112.27 -19.06 12.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 3.5 110.061 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 436' ' ' LYS . . . . . 0.583 ' HG2' ' CE1' ' A' ' 441' ' ' TYR . 0.1 OUTLIER -65.13 -168.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 6.5800000000000001 109.313 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -85.46 -46.54 10.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 4.1200000000000001 109.308 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 438' ' ' LYS . 3.8 tppp? -163.74 61.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 4.8300000000000001 109.279 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -146.27 176.38 9.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 3.4199999999999999 111.034 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -134.14 103.05 5.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 4.5199999999999996 110.995 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 441' ' ' TYR . . . . . 0.583 ' CE1' ' HG2' ' A' ' 436' ' ' LYS . 4.3 m-85 -93.21 117.72 30.4 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.112 . . . . 4.0300000000000002 110.979 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . 0.569 ' CD1' ' HB ' ' A' ' 432' ' ' VAL . 50.2 m-85 -110.16 142.89 41.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 4.21 110.973 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 443' ' ' PHE . . . . . 0.538 ' CZ ' ' HG3' ' A' ' 448' ' ' GLN . 17.6 m-85 -111.88 108.72 18.2 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.461 1.101 . . . . 5.3600000000000003 110.969 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -110.19 80.24 1.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 3.9500000000000002 110.316 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 84.72 -116.09 4.22 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.562 1.164 . . . . 2.0499999999999998 110.993 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 17.7 p -109.72 43.83 1.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 0.791 . . . . 2.7000000000000002 110.048 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -150.03 138.75 20.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 2.8500000000000001 109.325 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 448' ' ' GLN . . . . . 0.538 ' HG3' ' CZ ' ' A' ' 443' ' ' PHE . 0.1 OUTLIER -124.39 94.76 4.3 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.48 1.112 . . . . 4.3600000000000003 110.263 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 449' ' ' PHE . . . . . 0.556 ' HB2' ' CE1' ' A' ' 451' ' ' TYR . 73.5 m-85 -80.69 143.45 33.01 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.508 1.13 . . . . 4.29 111.044 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . 0.532 ' HG2' ' CZ ' ' A' ' 441' ' ' TYR . 1.2 mt-10 -100.68 106.03 17.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 5.79 110.353 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 451' ' ' TYR . . . . . 0.568 ' CE2' HG23 ' A' ' 425' ' ' ILE . 36.2 m-85 -98.41 172.05 7.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 9.3100000000000005 111.037 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -154.72 93.23 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 2.9399999999999999 109.237 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . 0.5 ' C ' ' CD1' ' A' ' 453' ' ' PHE . 2.2 t80 -49.24 -20.6 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 5.6299999999999999 110.999 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 49.2 tp -42.69 -27.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.598 1.186 . . . . 4.4000000000000004 109.324 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.437 ' N ' ' C ' ' A' ' 453' ' ' PHE . 1.8 pt? -161.29 27.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 3.6499999999999999 109.295 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . 0.565 ' HG2' ' CE2' ' A' ' 422' ' ' PHE . 9.7 mp0 39.24 61.15 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 4.4000000000000004 110.306 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -146.0 151.72 38.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 6.1200000000000001 110.295 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 4.0 mt -92.63 147.65 5.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 2.52 109.32 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.29 -39.99 4.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 3.6499999999999999 110.413 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 460' ' ' LYS . . . . . 0.46 ' C ' ' CG2' ' A' ' 461' ' ' THR . 0.0 OUTLIER -158.75 176.34 12.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 6.1299999999999999 109.25 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 461' ' ' THR . . . . . 0.46 ' CG2' ' C ' ' A' ' 460' ' ' LYS . 5.8 p -150.68 122.41 8.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.581 1.176 . . . . 3.6400000000000001 110.385 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -125.63 161.31 27.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 2.73 109.339 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.44 148.78 25.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 3.2599999999999998 109.35 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 3.1 t -47.17 -28.57 1.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 2.2400000000000002 109.951 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -96.46 58.18 1.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 3.3599999999999999 109.272 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.73 -9.75 11.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 3.3300000000000001 110.01 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 17.2 m95 -105.8 -58.89 1.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.999 -1.111 . . . . 4.9199999999999999 107.999 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 468' ' ' PHE . . . . . 0.524 ' CD1' ' HB2' ' A' ' 470' ' ' CYS . 2.7 t80 -42.22 -50.4 4.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 8.3800000000000008 110.958 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 123.49 44.37 0.32 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.555 1.159 . . . . 2.8500000000000001 110.995 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 470' ' ' CYS . . . . . 1.183 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 N-CA-C 108.306 -0.998 . . . . 3.6699999999999999 108.306 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 471' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 277' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.487 0.184 . . . . 9.7200000000000006 110.978 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -67.52 159.86 75.63 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 7.5 110.29 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -161.83 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.501 1.79 . . . . 3.54 110.989 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 280' ' ' ALA . . . . . 0.461 ' HB2' ' CD1' ' A' ' 286' ' ' LEU . . . -104.71 -67.84 0.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 4.04 109.359 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 281' ' ' LEU . . . . . 0.562 HD21 ' CE2' ' A' ' 468' ' ' PHE . 14.4 mt 60.11 33.91 21.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 4.3799999999999999 109.331 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 282' ' ' CYS . . . . . 1.064 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 0.8 OUTLIER 159.28 51.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.445 1.091 . . . . 3.4399999999999999 108.282 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -178.79 123.78 0.24 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 3.0299999999999998 109.298 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 87.06 1.36 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.519 1.8 . . . . 2.2000000000000002 111.039 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 285' ' ' ASN . . . . . 0.566 ' N ' HD21 ' A' ' 285' ' ' ASN . 0.0 OUTLIER 178.96 45.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 3.48 109.283 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 286' ' ' LEU . . . . . 0.461 ' CD1' ' HB2' ' A' ' 280' ' ' ALA . 3.1 tp -92.25 141.34 28.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 3.46 109.249 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 35.0 p -128.45 148.92 50.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 2.1299999999999999 109.939 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -128.13 178.44 6.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.557 1.161 . . . . 4.1200000000000001 110.965 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -106.21 -50.81 3.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 2.7799999999999998 109.278 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -143.74 137.0 27.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 1.6899999999999999 109.331 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 291' ' ' VAL . . . . . 0.443 HG12 ' CE1' ' A' ' 433' ' ' PHE . 97.2 t -130.79 131.36 64.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 3.7400000000000002 109.327 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 6.0 t -154.62 158.08 39.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 2.4300000000000002 110.379 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 293' ' ' THR . . . . . 0.466 ' CB ' ' HB2' ' A' ' 435' ' ' SER . 14.6 t -106.47 160.03 15.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 3.21 110.38 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 294' ' ' VAL . . . . . 0.49 HG23 ' CE1' ' A' ' 299' ' ' PHE . 21.2 m -149.26 70.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.575 1.172 . . . . 4.8399999999999999 109.314 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . 0.475 ' O ' ' CB ' ' A' ' 296' ' ' ASN . . . 78.08 48.46 7.62 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.424 1.077 . . . . 3.4199999999999999 110.965 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 296' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 295' ' ' GLY . 0.2 OUTLIER 80.17 4.51 1.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.759 . . . . 4.25 109.303 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 3.8 mtmm -99.71 115.17 28.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 3.3700000000000001 109.263 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -86.44 133.52 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 4.8600000000000003 109.233 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 299' ' ' PHE . . . . . 0.49 ' CE1' HG23 ' A' ' 294' ' ' VAL . 6.0 m-85 -127.32 83.67 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 4.3899999999999997 110.971 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 300' ' ' PHE . . . . . 0.424 ' HB2' ' CB ' ' A' ' 307' ' ' TRP . 16.2 m-85 -83.64 104.67 13.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 5.2199999999999998 110.993 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -81.52 143.5 31.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 3.54 111.043 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 11.6 mmtp -109.42 -60.49 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 5.25 109.318 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -166.15 -60.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 2.71 109.309 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.03 -18.53 11.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 5.1200000000000001 110.279 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -124.2 166.92 15.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 3.6899999999999999 110.982 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 306' ' ' PHE . . . . . 0.524 ' CE2' ' HB3' ' A' ' 319' ' ' ASN . 25.2 p90 -121.54 171.04 9.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 2.1499999999999999 110.992 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 307' ' ' TRP . . . . . 0.577 ' CZ2' ' OG1' ' A' ' 316' ' ' THR . 0.0 OUTLIER -119.41 139.43 52.04 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.009 -1.108 . . . . 6.7199999999999998 108.009 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 56.3 tp -146.71 112.76 5.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 3.3999999999999999 109.355 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.83 105.32 2.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 3.5699999999999998 109.332 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 311' ' ' SER . 0.3 OUTLIER -170.65 -73.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 3.0 109.259 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 311' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 310' ' ' VAL . 31.1 t -36.15 -76.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.598 1.186 . . . . 4.8899999999999997 110.05 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.03 76.15 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 7.2000000000000002 110.3 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.3 132.1 23.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 5.0300000000000002 110.264 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.57 3.7 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.498 1.788 . . . . 3.4300000000000002 111.031 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 315' ' ' LYS . . . . . 0.403 ' HG2' ' CE2' ' A' ' 468' ' ' PHE . 0.0 OUTLIER -142.09 164.72 29.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 4.4199999999999999 109.286 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 316' ' ' THR . . . . . 0.577 ' OG1' ' CZ2' ' A' ' 307' ' ' TRP . 62.8 p -82.38 126.64 32.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 2.1800000000000002 110.429 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 16.8 m -99.83 141.73 32.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 3.1200000000000001 109.989 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 11.8 m -103.57 70.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 3.5800000000000001 109.261 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . 0.524 ' HB3' ' CE2' ' A' ' 306' ' ' PHE . 2.3 m-20 -81.62 162.87 22.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 3.25 109.318 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.99 153.51 20.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 2.8999999999999999 109.269 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 321' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.13 -68.34 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 2.1299999999999999 109.318 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 32.4 t -40.67 -33.05 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 3.3199999999999998 109.962 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 1.4 t -44.19 -44.24 7.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 1.8899999999999999 110.011 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 7.2 mt -102.23 -79.83 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 3.4300000000000002 109.303 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -47.45 151.71 1.33 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 2.0699999999999998 108.026 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 -76.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.527 1.804 . . . . 1.72 111.006 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 327' ' ' THR . . . . . . . . . . . . . 10.0 t -122.85 95.95 4.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 2.2599999999999998 110.416 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -130.22 155.4 80.91 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 2.7599999999999998 109.25 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 329' ' ' PRO . . . . . 0.406 ' HG2' ' CD1' ' A' ' 332' ' ' ILE . 18.3 Cg_endo -74.97 125.06 9.1 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.539 1.81 . . . . 2.1899999999999999 110.991 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 66.5 m -81.46 142.99 32.41 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.515 1.135 . . . . 2.52 110.003 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 76.16 40.85 28.3 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.123 . . . . 1.24 110.955 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.406 ' CD1' ' HG2' ' A' ' 329' ' ' PRO . 33.2 mm -41.84 152.97 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 3.4500000000000002 109.35 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -100.26 -47.67 4.86 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.437 1.086 . . . . 3.3999999999999999 110.291 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -144.85 118.62 9.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 2.0800000000000001 109.292 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -114.12 136.95 52.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 1.8999999999999999 109.3 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 336' ' ' TYR . . . . . 0.517 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 9.8 p90 -154.93 126.22 7.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 4.0199999999999996 111.006 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.81 150.61 20.51 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 1.149 . . . . 3.8100000000000001 110.306 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . 0.558 HD11 ' CD1' ' A' ' 385' ' ' PHE . 13.9 tt -119.37 102.23 12.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 3.9100000000000001 109.294 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -78.2 81.71 4.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 4.0899999999999999 110.306 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -163.01 -59.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 2.7599999999999998 109.323 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -103.86 0.55 30.38 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.417 1.073 . . . . 6.5499999999999998 110.311 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 2.6 t30 60.01 56.57 3.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 2.73 109.333 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -124.99 131.34 53.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 2.75 110.334 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 344' ' ' VAL . . . . . 0.545 ' CG1' ' CD2' ' A' ' 346' ' ' LEU . 17.9 t -96.7 141.86 14.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.415 1.072 . . . . 2.29 109.327 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 345' ' ' PHE . . . . . 0.418 ' N ' HG13 ' A' ' 344' ' ' VAL . 37.0 m-85 -126.2 125.42 42.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 4.54 111.004 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . 0.545 ' CD2' ' CG1' ' A' ' 344' ' ' VAL . 4.1 mm? -123.82 114.31 19.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 2.3300000000000001 109.259 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -88.24 141.37 28.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 3.3100000000000001 111.011 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 348' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.0 OUTLIER -161.4 114.91 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 4.2800000000000002 109.277 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 55.49 -149.35 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 4.2999999999999998 109.287 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 350' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 12.0 p-10 -88.71 41.05 1.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 3.0 109.357 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 348' ' ' LYS . 25.9 mtmt -155.87 153.32 29.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 3.2400000000000002 109.341 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 352' ' ' TYR . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 366' ' ' LYS . 24.3 p90 -145.38 138.63 26.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 3.8700000000000001 111.04 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -97.81 166.59 11.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 4.8899999999999997 107.98 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 354' ' ' LEU . . . . . . . . . . . . . 4.6 tp -132.18 120.45 22.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 3.1400000000000001 109.268 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 4.6 mp -97.73 99.03 8.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 2.6000000000000001 109.311 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 15.1 t -102.13 125.71 48.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 3.23 109.988 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 60.57 42.4 14.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 4.6200000000000001 109.291 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 1.9 mt 59.54 39.8 21.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 5.7800000000000002 109.27 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -152.4 122.46 3.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 5.6799999999999997 110.329 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 360' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 361' ' ' GLU . 18.2 Cg_endo -74.98 111.32 3.3 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.775 . . . . 1.3700000000000001 110.921 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 361' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 360' ' ' PRO . 3.6 mm-40 -36.96 126.79 0.78 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.102 . . . . 3.0600000000000001 110.277 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 128.49 11.58 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.431 1.753 . . . . 2.4100000000000001 110.986 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 363' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 62.55 60.49 1.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 4.3899999999999997 109.321 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 364' ' ' TYR . . . . . 0.511 ' N ' ' HD3' ' A' ' 365' ' ' PRO . 1.4 t80 -135.27 58.09 24.3 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 3.7599999999999998 110.967 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . 0.511 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.1 Cg_endo -75.01 53.16 3.26 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.502 1.79 . . . . 1.6799999999999999 110.936 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 366' ' ' LYS . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 352' ' ' TYR . 9.3 mmpt? -48.77 133.68 17.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.451 1.094 . . . . 3.73 109.325 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 3.7 m -115.39 127.72 55.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 3.2200000000000002 110.071 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 372' ' ' GLY . 20.7 pt -49.52 -29.81 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 2.6299999999999999 109.306 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 369' ' ' HIS . . . . . 0.473 ' HA ' ' CB ' ' A' ' 373' ' ' PHE . 53.1 t-80 -60.66 -32.22 71.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 4.7599999999999998 109.597 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 4.4 p -48.46 -22.93 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 4.2599999999999998 110.036 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 175.52 59.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 7.71 110.922 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 372' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 368' ' ' ILE . . . -170.42 -68.01 0.04 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.453 1.096 . . . . 2.8999999999999999 110.985 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 373' ' ' PHE . . . . . 0.485 ' CZ ' ' O ' ' A' ' 377' ' ' VAL . 2.5 t80 -44.42 102.94 0.31 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.436 0.727 . . . . 8.5700000000000003 111.004 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 374' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -62.51 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.521 1.801 . . . . 3.73 111.038 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 2.0 t30 169.66 43.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 8.1899999999999995 109.343 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 376' ' ' PHE . . . . . 0.417 ' O ' ' O ' ' A' ' 377' ' ' VAL . 3.0 t80 -166.18 -54.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 5.9900000000000002 111.01 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 377' ' ' VAL . . . . . 0.485 ' O ' ' CZ ' ' A' ' 373' ' ' PHE . 2.2 p -42.87 164.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 3.1099999999999999 109.216 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.38 -38.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 4.9500000000000002 109.29 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.29 131.11 25.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 2.5600000000000001 109.289 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 13.8 mt -100.62 146.71 8.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 1.8500000000000001 109.282 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.1 -46.02 9.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 2.2999999999999998 109.315 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 382' ' ' ALA . . . . . 0.456 ' HB2' ' CG2' ' A' ' 432' ' ' VAL . . . -156.62 165.04 37.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 2.0499999999999998 109.261 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -167.1 132.33 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 2.7799999999999998 109.297 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 8.0 p -134.28 168.94 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 3.2599999999999998 109.294 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 385' ' ' PHE . . . . . 0.558 ' CD1' HD11 ' A' ' 338' ' ' ILE . 22.7 t80 -125.11 136.41 53.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.133 . . . . 2.29 111.002 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 386' ' ' ASN . . . . . 0.433 ' HB3' ' CB ' ' A' ' 389' ' ' PHE . 0.6 OUTLIER -101.47 122.37 48.22 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 3.0600000000000001 109.333 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -33.02 4.92 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.468 1.773 . . . . 2.1800000000000002 111.058 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.06 26.08 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 3.8799999999999999 110.26 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 389' ' ' PHE . . . . . 0.593 ' C ' ' CG ' ' A' ' 390' ' ' TYR . 2.2 t80 -151.87 -37.01 0.12 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.396 1.06 . . . . 5.5700000000000003 111.027 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 390' ' ' TYR . . . . . 0.593 ' CG ' ' C ' ' A' ' 389' ' ' PHE . 2.0 m-85 73.51 46.11 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 3.1499999999999999 110.956 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 391' ' ' ARG . . . . . 0.453 ' NH1' ' OD2' ' A' ' 404' ' ' ASP . 22.2 mtt-85 -148.52 156.29 42.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 6.1900000000000004 110.372 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 20.4 m -117.27 122.44 43.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 2.3300000000000001 110.446 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -78.79 153.07 31.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 3.4300000000000002 111.01 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -128.03 110.29 12.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 4.1699999999999999 110.945 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -97.48 116.09 29.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 1.3899999999999999 110.972 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 95.7 t -135.55 124.04 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 3.0800000000000001 109.313 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 1.5 t0 47.18 -149.95 0.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 4.9699999999999998 109.274 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . 0.487 ' O ' ' CD1' ' A' ' 417' ' ' LEU . 4.8 m120 -84.01 50.01 1.75 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.519 1.137 . . . . 4.8899999999999997 109.321 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -144.52 155.44 43.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 4.6100000000000003 110.244 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -121.7 119.33 31.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 3.5499999999999998 110.949 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -115.38 166.7 11.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 7.3200000000000003 108.034 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -155.35 129.1 8.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.406 1.066 . . . . 3.6200000000000001 110.377 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -108.18 148.95 29.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 5.1799999999999997 111.015 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . 0.453 ' OD2' ' NH1' ' A' ' 391' ' ' ARG . 0.2 OUTLIER -95.45 129.23 42.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.148 . . . . 2.52 109.323 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -89.75 -48.35 7.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 3.1099999999999999 110.317 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -62.55 -67.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 8.2799999999999994 110.272 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -59.7 -41.71 91.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 3.0800000000000001 110.279 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 74.09 46.77 0.17 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.15 . . . . 5.1600000000000001 110.353 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 11.0 tpt -143.98 102.81 3.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.138 . . . . 4.0700000000000003 110.999 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.83 127.01 19.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 3.1800000000000002 111.046 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 12.4 p30 -48.15 135.78 11.76 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 5.0700000000000003 109.255 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 108.23 2.67 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 2.6000000000000001 110.994 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 50.14 101.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.548 1.155 . . . . 2.0800000000000001 111.005 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 414' ' ' TYR . . . . . 0.544 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 2.6 t80 -137.39 63.02 40.12 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.428 0.722 . . . . 2.2599999999999998 110.982 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 415' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.5 Cg_endo -74.94 69.01 5.61 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.515 1.797 . . . . 1.8600000000000001 111.012 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . 0.544 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 2.1 mmtm -87.94 -171.2 3.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 4.7800000000000002 109.286 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . 0.487 ' CD1' ' O ' ' A' ' 398' ' ' ASN . 9.7 tp -130.79 142.99 50.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 3.5600000000000001 109.347 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 419' ' ' THR . 1.5 mp -70.25 -72.59 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.585 1.178 . . . . 2.0699999999999998 109.297 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 419' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 418' ' ' ILE . 0.2 OUTLIER -33.53 -44.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 2.3300000000000001 110.449 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -58.35 -67.57 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 2.2799999999999998 109.27 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -41.95 -50.84 4.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 2.9900000000000002 109.271 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 422' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -130.1 106.72 8.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 4.0 111.053 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -84.57 109.23 17.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 2.4500000000000002 110.257 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 146.92 -28.51 1.57 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.546 1.153 . . . . 1.3100000000000001 110.964 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 425' ' ' ILE . . . . . 0.421 ' CD1' HG22 ' A' ' 418' ' ' ILE . 51.0 pt -81.85 -42.75 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 3.2000000000000002 109.338 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 426' ' ' GLY . . . . . 0.41 ' N ' HG13 ' A' ' 425' ' ' ILE . . . 120.95 170.98 14.21 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.573 1.171 . . . . 1.1100000000000001 110.932 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . 0.442 ' O ' ' CD1' ' A' ' 418' ' ' ILE . 18.5 Cg_endo -74.94 -30.21 7.52 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.472 1.775 . . . . 1.5900000000000001 111.021 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.34 146.82 38.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 3.46 109.322 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 11.1 tp -132.21 157.69 43.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 2.6899999999999999 109.321 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.63 -69.44 0.86 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 2.1600000000000001 109.252 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . 0.484 ' O ' ' CG1' ' A' ' 432' ' ' VAL . . . -131.02 158.03 41.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 2.1600000000000001 109.297 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' A' ' 431' ' ' ALA . 27.0 m -157.34 137.09 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.567 1.167 . . . . 4.0300000000000002 109.268 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 433' ' ' PHE . . . . . 0.443 ' CE1' HG12 ' A' ' 291' ' ' VAL . 23.6 p90 -153.64 172.92 16.48 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.447 1.092 . . . . 4.3200000000000003 110.955 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -121.72 100.21 6.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 5.1600000000000001 111.014 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 435' ' ' SER . . . . . 0.466 ' HB2' ' CB ' ' A' ' 293' ' ' THR . 0.4 OUTLIER -112.68 -27.8 8.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 2.6699999999999999 110.032 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 436' ' ' LYS . . . . . 0.431 ' HG2' ' CE2' ' A' ' 441' ' ' TYR . 7.9 mmtt -66.6 -169.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 4.6200000000000001 109.328 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -89.45 -45.36 9.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 4.6900000000000004 109.266 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . 0.59 ' O ' ' CD1' ' A' ' 439' ' ' TYR . 0.0 OUTLIER -153.61 63.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 4.8899999999999997 109.27 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 439' ' ' TYR . . . . . 0.59 ' CD1' ' O ' ' A' ' 438' ' ' LYS . 18.8 m-85 -148.64 -179.65 7.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 4.1299999999999999 111.006 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -134.14 123.98 25.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 4.1799999999999997 111.025 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 441' ' ' TYR . . . . . 0.577 ' CE1' ' HG3' ' A' ' 450' ' ' GLU . 4.2 m-85 -97.21 124.7 41.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 4.0 110.967 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -129.56 142.07 50.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 4.5099999999999998 111.029 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 443' ' ' PHE . . . . . 0.551 ' C ' ' CD1' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -148.82 145.25 27.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 6.2999999999999998 110.945 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -157.22 92.29 1.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 6.8200000000000003 110.3 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 119.85 -83.04 0.35 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 1.76 110.98 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 4.9 p -162.08 41.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 2.6200000000000001 110.066 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -141.21 136.86 32.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 2.3300000000000001 109.323 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -113.88 96.68 5.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 3.46 110.338 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 449' ' ' PHE . . . . . 0.523 ' CE1' HG23 ' A' ' 461' ' ' THR . 76.8 m-85 -99.64 148.47 24.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 4.3399999999999999 111.036 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . 0.577 ' HG3' ' CE1' ' A' ' 441' ' ' TYR . 0.3 OUTLIER -127.44 126.96 43.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 3.5499999999999998 110.274 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 451' ' ' TYR . . . . . 0.404 ' O ' ' OE1' ' A' ' 450' ' ' GLU . 0.5 OUTLIER -89.3 164.22 15.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 4.04 111.001 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -141.98 106.85 4.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 3.5099999999999998 109.315 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -57.91 -20.1 34.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 4.71 110.973 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 18.6 tp -42.23 -38.36 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 3.3700000000000001 109.308 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.459 ' N ' ' CD2' ' A' ' 455' ' ' LEU . 1.5 pt? -170.71 33.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 3.8900000000000001 109.24 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 49.39 56.03 8.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 3.6200000000000001 110.281 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.92 129.62 52.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.15 . . . . 6.2199999999999998 110.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 90.6 mt -98.19 102.47 13.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 2.7799999999999998 109.272 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 19.7 p -107.53 51.3 0.75 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 3.9199999999999999 110.46 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.5 114.34 2.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 4.96 109.292 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 461' ' ' THR . . . . . 0.523 HG23 ' CE1' ' A' ' 449' ' ' PHE . 21.8 p -142.74 71.96 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 3.5 110.437 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -106.88 162.97 13.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 3.1800000000000002 109.265 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.45 149.8 21.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 3.3300000000000001 109.321 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 47.4 t -41.1 -49.42 3.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 2.2999999999999998 109.954 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 50.4 m-20 -88.16 62.88 6.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 3.1499999999999999 109.274 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 2.6 t -113.29 -13.04 12.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 3.3100000000000001 109.981 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -104.23 -49.07 3.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 5.5899999999999999 108.059 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 468' ' ' PHE . . . . . 0.562 ' CE2' HD21 ' A' ' 281' ' ' LEU . 8.8 t80 -48.53 -53.15 19.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 8.7200000000000006 110.96 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 110.54 71.68 0.66 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.559 1.162 . . . . 2.7400000000000002 110.943 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 470' ' ' CYS . . . . . 1.064 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 N-CA-C 108.305 -0.998 . . . . 3.3399999999999999 108.305 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 471' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 277' ' ' MET . . . . . 0.405 ' N ' ' HE3' ' A' ' 302' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.46 0.171 . . . . 8.1899999999999995 110.994 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . 0.567 ' N ' ' CD ' ' A' ' 279' ' ' PRO . 0.1 OUTLIER -57.88 -48.01 97.9 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.494 1.121 . . . . 6.3499999999999996 110.325 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 279' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 278' ' ' GLU . 18.1 Cg_endo -75.07 54.03 3.55 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.482 1.78 . . . . 5.7400000000000002 110.966 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 280' ' ' ALA . . . . . 0.406 ' HB2' ' ND2' ' A' ' 285' ' ' ASN . . . -169.87 44.63 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 4.9500000000000002 109.319 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 281' ' ' LEU . . . . . 0.498 HD11 ' CZ2' ' A' ' 307' ' ' TRP . 12.2 mt -89.66 -15.16 33.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 2.96 109.286 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 282' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.94 -60.21 1.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 3.3999999999999999 108.265 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -60.18 138.03 91.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 3.5899999999999999 109.371 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 85.03 1.58 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.474 1.776 . . . . 2.8100000000000001 110.979 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 285' ' ' ASN . . . . . 0.421 ' N ' HD21 ' A' ' 285' ' ' ASN . 0.4 OUTLIER -164.71 34.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 3.8199999999999998 109.276 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 4.0 tp -103.93 140.22 38.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 3.8100000000000001 109.295 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 38.5 p -146.18 164.93 30.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 2.0600000000000001 109.974 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -129.17 176.63 7.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 2.8399999999999999 111.011 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -118.3 -54.12 2.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 2.1699999999999999 109.235 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 333' ' ' GLU . . . -153.34 155.11 35.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 2.2999999999999998 109.362 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 291' ' ' VAL . . . . . 0.586 HG23 ' CZ ' ' A' ' 442' ' ' PHE . 13.7 m -147.12 160.49 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 3.52 109.274 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 292' ' ' THR . . . . . 0.467 ' HB ' ' CB ' ' A' ' 335' ' ' ALA . 4.7 t -153.3 133.86 13.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 2.6200000000000001 110.361 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -102.18 141.89 34.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.561 1.163 . . . . 2.6499999999999999 110.424 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 53.0 t -141.34 83.71 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 2.9500000000000002 109.26 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 98.06 -114.71 5.08 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.454 1.096 . . . . 1.5700000000000001 111.057 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -116.53 14.5 15.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 0.745 . . . . 3.46 109.366 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -117.43 147.94 42.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 4.4199999999999999 109.318 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 6.4 mm -117.18 158.9 17.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 5.1900000000000004 109.281 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -133.08 124.24 27.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 3.98 111.032 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 300' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -114.34 126.67 55.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 3.8599999999999999 111.024 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -113.64 150.51 33.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 3.2599999999999998 110.995 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 302' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 305' ' ' PHE . 0.0 OUTLIER -149.08 87.63 1.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 3.5 109.343 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 66.9 -78.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 2.7200000000000002 109.32 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.44 -36.34 2.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.4 1.063 . . . . 6.3200000000000003 110.328 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 302' ' ' LYS . 46.2 m-85 -86.08 144.67 27.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 4.3399999999999999 110.986 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 306' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -123.42 135.3 54.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 2.1499999999999999 111.003 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 307' ' ' TRP . . . . . 0.51 ' CZ3' ' N ' ' A' ' 318' ' ' VAL . 1.3 m95 -87.84 169.7 11.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 7.6699999999999999 108.074 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.27 116.6 3.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 2.8700000000000001 109.344 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -151.1 95.25 2.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.428 1.08 . . . . 3.0099999999999998 109.314 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . 0.4 ' CG2' ' N ' ' A' ' 311' ' ' SER . 7.1 p -175.46 168.92 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 2.98 109.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 311' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 312' ' ' GLU . 34.2 t 45.05 90.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 4.4000000000000004 109.985 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 312' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 311' ' ' SER . 8.3 pt-20 35.74 73.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 4.5700000000000003 110.32 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 313' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 310' ' ' VAL . 0.0 OUTLIER -115.72 103.3 53.88 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 4.7199999999999998 110.263 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -26.44 11.09 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.463 1.77 . . . . 2.3199999999999998 111.006 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -150.03 146.14 26.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 4.8300000000000001 109.316 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 316' ' ' THR . . . . . 0.461 ' OG1' ' CZ3' ' A' ' 307' ' ' TRP . 10.7 p -83.69 158.37 21.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 1.9199999999999999 110.407 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.98 116.23 18.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.457 1.098 . . . . 2.5600000000000001 110.01 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 318' ' ' VAL . . . . . 0.51 ' N ' ' CZ3' ' A' ' 307' ' ' TRP . 7.9 p -98.67 100.14 9.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 4.2300000000000004 109.244 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -122.62 175.97 6.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 2.6299999999999999 109.305 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.49 160.72 20.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.085 . . . . 2.6699999999999999 109.355 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 321' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 322' ' ' SER . 8.3 mt -70.2 -60.82 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 2.29 109.317 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 322' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 325' ' ' TRP . 4.3 m -38.04 -47.03 1.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 2.5699999999999998 110.049 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 17.5 m -39.79 -38.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 2.3900000000000001 110.028 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.21 -85.6 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 3.8799999999999999 109.25 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 325' ' ' TRP . . . . . 0.534 ' CE3' ' HG ' ' A' ' 328' ' ' LEU . 0.1 OUTLIER -58.72 151.09 54.74 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 2.5299999999999998 107.967 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -66.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 1.1699999999999999 111.009 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 327' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.72 94.34 4.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 2.8799999999999999 110.356 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . 0.534 ' HG ' ' CE3' ' A' ' 325' ' ' TRP . 1.8 mm? -124.74 153.63 70.32 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 2.6200000000000001 109.317 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 133.57 16.76 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.553 1.817 . . . . 2.1000000000000001 111.038 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 2.0 m -84.55 130.78 34.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 2.6099999999999999 109.962 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 85.33 51.0 3.85 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.108 . . . . 1.3400000000000001 110.936 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mp -53.78 140.03 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 2.8799999999999999 109.356 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . 0.461 ' O ' ' CB ' ' A' ' 290' ' ' ALA . 10.4 mm-40 -104.13 -53.39 2.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.55 1.156 . . . . 2.8500000000000001 110.345 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -127.78 110.77 12.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 2.71 109.339 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . 0.467 ' CB ' ' HB ' ' A' ' 292' ' ' THR . . . -109.59 115.13 29.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 1.8200000000000001 109.296 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 336' ' ' TYR . . . . . 0.508 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 13.2 p90 -148.75 125.14 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 4.46 110.96 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -94.75 160.38 14.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 3.7599999999999998 110.285 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 340' ' ' ALA . 4.0 mp -99.97 85.08 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 5.8200000000000003 109.304 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.65 76.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 3.52 110.311 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 338' ' ' ILE . . . -158.9 -53.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 2.6000000000000001 109.284 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -108.73 14.16 24.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 4.2699999999999996 110.273 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 3.3 t30 58.91 63.22 1.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 2.4199999999999999 109.292 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -126.77 179.95 5.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 4.0700000000000003 110.286 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 344' ' ' VAL . . . . . . . . . . . . . 3.8 t -141.27 153.46 20.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 2.5499999999999998 109.259 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 345' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.75 137.16 22.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 4.4500000000000002 110.99 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -131.44 159.91 36.69 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.442 1.089 . . . . 2.9100000000000001 109.324 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -136.44 146.16 46.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 4.0099999999999998 111.043 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 348' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.3 OUTLIER -167.95 130.2 1.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 3.6600000000000001 109.246 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.8 t70 54.32 -150.31 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 3.1800000000000002 109.287 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 350' ' ' ASP . . . . . 0.499 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 7.1 t0 -88.25 41.62 1.02 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 3.6000000000000001 109.25 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 19.3 mttp -155.91 155.43 32.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 3.3100000000000001 109.336 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 352' ' ' TYR . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 366' ' ' LYS . 26.3 p90 -138.93 136.08 35.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 4.1799999999999997 111.016 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -102.4 170.58 7.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 5.2400000000000002 107.988 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 354' ' ' LEU . . . . . 0.444 ' CD1' ' N ' ' A' ' 354' ' ' LEU . 0.0 OUTLIER -148.23 137.73 22.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 5.0199999999999996 109.285 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 1.7 mp -112.59 125.68 69.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 2.3399999999999999 109.29 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 356' ' ' SER . . . . . 0.403 ' O ' ' HB2' ' A' ' 357' ' ' ASN . 0.5 OUTLIER -94.43 92.94 7.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 2.73 110.003 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 357' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 356' ' ' SER . 0.7 OUTLIER 70.29 -58.14 0.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 4.6799999999999997 109.317 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 4.0 tp -147.87 -52.53 0.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 4.7199999999999998 109.264 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -89.35 121.35 69.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 5.9100000000000001 110.297 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 360' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -162.03 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.473 1.775 . . . . 2.21 110.969 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -86.89 157.45 54.55 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 2.8300000000000001 110.254 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 362' ' ' PRO . . . . . 0.463 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.5 Cg_endo -74.99 66.5 6.01 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.436 1.756 . . . . 2.77 110.965 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 363' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 0.7 OUTLIER 79.9 104.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 5.4100000000000001 109.28 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 364' ' ' TYR . . . . . 0.548 ' CD2' ' HD2' ' A' ' 366' ' ' LYS . 0.4 OUTLIER -127.0 65.58 64.44 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 3.9199999999999999 111.001 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . 0.441 ' HD3' ' C ' ' A' ' 363' ' ' ASN . 18.3 Cg_endo -75.0 55.62 4.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.504 1.792 . . . . 1.29 110.999 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 366' ' ' LYS . . . . . 0.548 ' HD2' ' CD2' ' A' ' 364' ' ' TYR . 0.0 OUTLIER -76.95 171.98 13.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 3.0 109.269 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 42.5 m -136.44 131.13 33.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 2.0800000000000001 110.034 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 29.6 pt -52.18 -37.54 22.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 2.5699999999999998 109.358 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -55.96 -18.07 8.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 3.6000000000000001 109.636 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 21.9 m -67.5 -14.59 63.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 3.5099999999999998 110.026 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 371' ' ' PHE . . . . . 0.557 ' CG ' ' O ' ' A' ' 371' ' ' PHE . 6.1 p90 -167.4 56.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 7.8399999999999999 110.966 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 372' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -163.5 -49.94 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.469 1.105 . . . . 2.8799999999999999 110.983 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 373' ' ' PHE . . . . . 0.436 ' N ' ' HD3' ' A' ' 374' ' ' PRO . 32.7 t80 35.85 62.3 2.67 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.568 0.805 . . . . 7.7599999999999998 111.012 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 374' ' ' PRO . . . . . 0.436 ' HD3' ' N ' ' A' ' 373' ' ' PHE . 18.2 Cg_endo -74.97 -164.89 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.576 1.83 . . . . 2.7799999999999998 111.006 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -74.6 -50.8 16.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 7.0199999999999996 109.4 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -172.24 78.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 5.6799999999999997 110.959 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 377' ' ' VAL . . . . . 0.417 HG21 ' CG ' ' A' ' 374' ' ' PRO . 83.2 t -104.57 158.71 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 3.77 109.32 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -172.79 -41.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.077 . . . . 3.79 109.26 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -127.52 122.89 34.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 2.52 109.335 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 5.3 mm -92.01 172.23 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 3.75 109.288 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 381' ' ' ASP . . . . . 0.581 ' O ' 'CA ' ' A' ' 471' ' ' ' CA' . 25.4 m-20 -113.81 -47.31 2.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 2.3300000000000001 109.288 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 382' ' ' ALA . . . . . 0.465 ' CB ' HG12 ' A' ' 432' ' ' VAL . . . -159.85 170.47 21.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 2.0800000000000001 109.296 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -149.57 117.72 6.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 2.2999999999999998 109.273 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 4.3 t -128.7 139.86 50.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 3.1600000000000001 109.297 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 385' ' ' PHE . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 434' ' ' TYR . 13.9 t80 -103.22 139.58 38.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 2.6800000000000002 110.98 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -113.34 117.25 45.58 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.077 . . . . 2.71 109.296 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -15.02 20.95 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.499 1.789 . . . . 1.75 110.999 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.7 -48.14 17.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 3.1400000000000001 110.283 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -91.77 -5.87 52.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 3.9500000000000002 110.999 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 57.0 29.74 16.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 3.46 110.979 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 2.0 mtm-85 -129.92 178.75 6.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 4.9500000000000002 110.309 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 37.5 m -126.69 128.64 47.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 1.8 110.379 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . 0.563 ' CE2' ' OH ' ' A' ' 400' ' ' TYR . 8.7 m-85 -85.28 125.32 32.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 2.48 110.985 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -107.47 107.48 18.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 3.75 111.047 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -85.39 108.36 17.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 2.23 111.005 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 21.7 m -129.38 120.2 50.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 4.4699999999999998 109.329 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 52.9 -149.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 3.27 109.305 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . 0.45 ' O ' ' CD1' ' A' ' 417' ' ' LEU . 2.3 m120 -89.87 49.65 1.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.179 . . . . 5.6200000000000001 109.256 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 399' ' ' GLN . . . . . 0.422 ' N ' HD12 ' A' ' 418' ' ' ILE . 16.0 mm100 -146.98 165.82 28.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 4.4500000000000002 110.273 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 400' ' ' TYR . . . . . 0.563 ' OH ' ' CE2' ' A' ' 393' ' ' TYR . 1.6 t80 -121.46 125.56 47.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 4.1799999999999997 110.997 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -119.57 160.76 21.83 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.981 -1.118 . . . . 6.9699999999999998 107.981 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -153.77 117.78 4.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 4.3200000000000003 110.282 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -109.54 126.58 53.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 5.7400000000000002 111.103 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.28 121.98 16.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 1.8899999999999999 109.284 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -91.84 -42.49 10.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 3.2999999999999998 110.343 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.29 -53.6 34.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 6.2199999999999998 110.281 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.38 -39.75 62.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 3.0 110.258 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 74.14 54.28 0.1 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 2.9399999999999999 110.294 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -150.36 96.92 2.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.539 1.15 . . . . 3.7400000000000002 110.995 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.69 125.87 18.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 4.5099999999999998 110.991 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.54 143.99 45.58 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 2.5600000000000001 109.253 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 412' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 413' ' ' GLY . 18.5 Cg_endo -74.98 105.16 2.03 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.774 . . . . 2.6099999999999999 111.04 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 413' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 412' ' ' PRO . . . 51.03 103.25 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 1.8700000000000001 110.995 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 414' ' ' TYR . . . . . 0.531 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 1.9 t80 -137.51 62.9 38.75 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.764 . . . . 2.5800000000000001 111.03 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 415' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.2 Cg_endo -75.01 72.22 4.74 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.45 1.763 . . . . 1.8799999999999999 111.011 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . 0.531 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 6.5 mmtt -85.13 -175.04 5.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 3.4199999999999999 109.253 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . 0.45 ' CD1' ' O ' ' A' ' 398' ' ' ASN . 22.4 tp -132.67 137.58 47.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 4.1100000000000003 109.289 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . 0.422 HD12 ' N ' ' A' ' 399' ' ' GLN . 0.6 OUTLIER -70.27 -38.53 74.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 2.2000000000000002 109.357 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.55 -40.6 95.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 3.0499999999999998 110.363 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 421' ' ' ASN . 60.4 mttt -63.44 -75.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 2.4399999999999999 109.309 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . 0.652 ' ND2' ' CZ ' ' A' ' 422' ' ' PHE . 32.4 t-20 -39.86 -56.98 1.67 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 3.1000000000000001 109.337 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 422' ' ' PHE . . . . . 0.652 ' CZ ' ' ND2' ' A' ' 421' ' ' ASN . 11.7 m-85 -106.18 89.59 3.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 5.3300000000000001 111.04 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -73.08 140.0 46.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 3.2200000000000002 110.373 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 92.91 -20.06 47.88 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.543 1.152 . . . . 1.96 110.999 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 425' ' ' ILE . . . . . 0.506 HD13 ' CD1' ' A' ' 451' ' ' TYR . 5.5 mm -68.65 -81.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 4.5 109.315 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 161.25 165.11 17.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 1.4199999999999999 111.016 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.11 18.96 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.567 1.825 . . . . 2.1000000000000001 111.061 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.42 145.42 26.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 5.1900000000000004 109.294 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 429' ' ' ILE . . . . . 0.472 HD11 ' CG2' ' A' ' 425' ' ' ILE . 0.2 OUTLIER -125.21 121.88 61.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 4.3499999999999996 109.309 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -57.93 -35.84 71.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 2.3500000000000001 109.359 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . 0.608 ' HB1' ' CE2' ' A' ' 442' ' ' PHE . . . -170.27 157.12 6.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.584 1.178 . . . . 2.1099999999999999 109.283 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.521 ' HA ' ' CG ' ' A' ' 442' ' ' PHE . 6.5 p -161.21 152.51 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 3.27 109.291 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 433' ' ' PHE . . . . . 0.558 ' O ' ' CD1' ' A' ' 433' ' ' PHE . 0.0 OUTLIER -152.47 152.9 32.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 5.4400000000000004 110.952 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 434' ' ' TYR . . . . . 0.559 ' CG ' ' O ' ' A' ' 434' ' ' TYR . 5.8 p90 -126.45 124.01 39.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 7.29 110.936 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 435' ' ' SER . . . . . 0.441 ' HB3' ' CE2' ' A' ' 433' ' ' PHE . 24.1 p -120.26 12.96 11.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 3.9500000000000002 109.985 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 436' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.34 -170.84 2.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 7.5999999999999996 109.329 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -63.72 -73.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 9.6899999999999995 109.299 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . 0.499 ' O ' ' CG ' ' A' ' 438' ' ' LYS . 2.7 tttt -132.89 61.1 1.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 8.1400000000000006 109.343 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -130.16 136.09 48.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 4.6299999999999999 111.006 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 440' ' ' TYR . . . . . 0.479 ' C ' ' CD1' ' A' ' 440' ' ' TYR . 0.1 OUTLIER -127.17 131.01 50.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 12.31 110.999 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 441' ' ' TYR . . . . . 0.591 ' N ' ' CD1' ' A' ' 441' ' ' TYR . 0.0 OUTLIER -157.23 101.09 1.88 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.584 1.177 . . . . 6.1399999999999997 111.029 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . 0.608 ' CE2' ' HB1' ' A' ' 431' ' ' ALA . 4.3 t80 -155.6 175.82 13.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 12.4 110.937 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 443' ' ' PHE . . . . . 0.631 ' CE1' ' CG ' ' A' ' 448' ' ' GLN . 46.9 m-85 -78.28 151.52 32.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 6.8499999999999996 110.955 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . 0.415 ' O ' ' CD ' ' A' ' 444' ' ' GLN . 8.2 tm0? -138.36 72.24 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 4.3099999999999996 110.254 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 445' ' ' GLY . . . . . 0.401 ' O ' ' CB ' ' A' ' 446' ' ' SER . . . 97.81 -38.71 2.99 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.436 1.085 . . . . 2.1699999999999999 111.004 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 446' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 445' ' ' GLY . 0.4 OUTLIER 165.75 41.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 3.4500000000000002 109.969 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.71 120.09 5.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 2.25 109.282 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 448' ' ' GLN . . . . . 0.631 ' CG ' ' CE1' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -100.77 112.08 24.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 4.7400000000000002 110.323 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 449' ' ' PHE . . . . . 0.515 ' N ' ' CD1' ' A' ' 449' ' ' PHE . 1.7 p90 -139.87 163.43 32.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 5.6200000000000001 110.974 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -111.29 147.41 35.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 4.0800000000000001 110.347 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 451' ' ' TYR . . . . . 0.506 ' CD1' HD13 ' A' ' 425' ' ' ILE . 85.4 t80 -133.85 100.09 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.08 . . . . 3.9500000000000002 110.994 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -89.18 111.04 21.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 3.3799999999999999 109.283 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -57.87 -15.81 9.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 5.3600000000000003 111.024 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 12.2 tp -45.3 -26.82 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 3.2200000000000002 109.302 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 456' ' ' GLN . 2.3 pt? -174.35 33.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.383 1.052 . . . . 2.7999999999999998 109.292 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 455' ' ' LEU . 15.5 pt20 35.93 63.98 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 4.9199999999999999 110.335 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -122.29 136.65 54.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 4.0599999999999996 110.3 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 14.0 mt -108.46 93.78 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 2.5800000000000001 109.343 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 2.7 t -102.87 38.91 1.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 4.0800000000000001 110.437 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -159.95 124.83 3.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 3.6299999999999999 109.313 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 1.1 p -138.83 73.7 1.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 3.27 110.462 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 462' ' ' LEU . . . . . 0.467 ' CD1' ' CB ' ' A' ' 466' ' ' SER . 27.0 tp -99.23 161.38 13.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 4.5099999999999998 109.316 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 463' ' ' LYS . . . . . 0.461 ' N ' ' HG ' ' A' ' 462' ' ' LEU . 4.2 mmpp? -78.0 176.87 8.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 3.8799999999999999 109.26 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.597 ' HA ' ' CD1' ' A' ' 443' ' ' PHE . 7.5 t -73.2 -44.82 59.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 2.8500000000000001 110.032 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -121.01 79.13 1.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 3.3999999999999999 109.288 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 466' ' ' SER . . . . . 0.467 ' CB ' ' CD1' ' A' ' 462' ' ' LEU . 0.4 OUTLIER -114.67 5.79 15.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 4.4699999999999998 109.956 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -132.46 -49.97 0.92 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.055 -1.091 . . . . 7.0099999999999998 108.055 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 468' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -47.4 -63.96 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 8.8100000000000005 111.017 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -112.44 -64.84 0.48 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.494 1.121 . . . . 5.6100000000000003 111.045 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 60.5 m . . . . . 0 C--N 1.326 -0.449 0 N-CA-C 108.257 -1.016 . . . . 4.1699999999999999 108.257 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 471' ' ' ' CA' . . . . . 0.581 'CA ' ' O ' ' A' ' 381' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 277' ' ' MET . . . . . 0.59 ' N ' ' CE2' ' A' ' 307' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.539 0.209 . . . . 9.1799999999999997 110.984 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . 0.494 ' N ' ' HD3' ' A' ' 279' ' ' PRO . 0.0 OUTLIER -136.9 59.52 23.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 8.1500000000000004 110.275 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 279' ' ' PRO . . . . . 0.494 ' HD3' ' N ' ' A' ' 278' ' ' GLU . 18.2 Cg_endo -75.05 -52.24 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.605 1.845 . . . . 3.6200000000000001 110.985 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 280' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 279' ' ' PRO . . . 169.25 104.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.569 1.168 . . . . 3.1200000000000001 109.351 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 281' ' ' LEU . . . . . 0.499 ' HB3' ' CE2' ' A' ' 468' ' ' PHE . 24.9 mt -94.33 94.12 8.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 3.0699999999999998 109.261 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 282' ' ' CYS . . . . . 1.081 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 42.1 t -178.44 -51.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 3.2400000000000002 108.286 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.21 149.89 40.76 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 3.73 109.258 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 97.72 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.469 1.773 . . . . 2.3500000000000001 111.008 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -156.8 30.64 0.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 3.3999999999999999 109.257 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 286' ' ' LEU . . . . . 0.613 ' CD1' ' CZ2' ' A' ' 307' ' ' TRP . 27.5 tp -110.92 157.85 19.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 3.5699999999999998 109.256 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 79.1 p -144.87 162.83 35.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 2.1200000000000001 110.04 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -129.64 171.75 12.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 4.04 111.052 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -122.2 -43.17 2.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 3.6099999999999999 109.305 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -155.15 131.16 10.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 2.2400000000000002 109.319 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 291' ' ' VAL . . . . . 0.557 HG22 ' CE2' ' A' ' 300' ' ' PHE . 6.8 p -135.95 145.43 31.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 3.96 109.288 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 292' ' ' THR . . . . . 0.407 ' N ' HG23 ' A' ' 291' ' ' VAL . 9.3 t -153.52 154.15 33.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 2.3900000000000001 110.371 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 11.1 t -106.5 146.41 30.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 3.4700000000000002 110.358 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 31.5 m -132.42 76.48 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 3.96 109.316 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 95.52 -90.75 1.27 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.541 1.15 . . . . 1.6200000000000001 111.031 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 296' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 296' ' ' ASN . 2.0 p-10 -134.23 16.42 3.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.78 . . . . 4.5800000000000001 109.236 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.08 152.52 42.61 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.499 1.125 . . . . 3.0899999999999999 109.323 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 298' ' ' ILE . . . . . 0.577 HG21 ' CE1' ' A' ' 300' ' ' PHE . 9.8 mt -115.45 140.48 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 3.7599999999999998 109.292 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -129.54 93.21 3.49 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.535 1.147 . . . . 4.2400000000000002 110.976 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 300' ' ' PHE . . . . . 0.577 ' CE1' HG21 ' A' ' 298' ' ' ILE . 78.1 m-85 -82.58 120.41 25.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 4.6799999999999997 111.004 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -104.81 155.97 18.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 4.1699999999999999 110.999 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -160.24 -50.3 0.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 5.5099999999999998 109.282 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 303' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 305' ' ' PHE . 1.5 t0 172.42 100.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 4.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 304' ' ' ARG . . . . . 0.465 ' HB2' ' O ' ' A' ' 303' ' ' ASP . 0.0 OUTLIER 67.37 -58.61 0.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 6.3600000000000003 110.306 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . 0.508 ' CG ' ' HG3' ' A' ' 277' ' ' MET . 19.3 m-85 -88.29 126.08 35.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 4.0300000000000002 111.051 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 306' ' ' PHE . . . . . 0.43 ' CB ' ' O ' ' A' ' 300' ' ' PHE . 6.2 p90 -124.9 136.18 53.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 2.6499999999999999 111.005 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 307' ' ' TRP . . . . . 0.613 ' CZ2' ' CD1' ' A' ' 286' ' ' LEU . 31.7 m-90 -79.89 136.84 36.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 6.2300000000000004 107.991 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 4.4 tp -149.47 101.59 3.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 3.54 109.321 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -122.62 82.9 2.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 3.6099999999999999 109.286 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 311' ' ' SER . 0.6 OUTLIER -151.59 -161.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 2.6600000000000001 109.272 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 311' ' ' SER . . . . . 0.453 ' N ' ' CG1' ' A' ' 310' ' ' VAL . 0.7 OUTLIER 38.3 -148.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 6.0300000000000002 109.994 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -82.6 67.3 8.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 7.5199999999999996 110.291 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -137.77 116.3 9.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 5.5300000000000002 110.294 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -25.47 11.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.504 1.791 . . . . 2.7400000000000002 110.995 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.22 170.86 11.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 7.7599999999999998 109.315 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 63.8 p -75.29 146.43 41.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 2.3700000000000001 110.422 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.55 151.0 29.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 2.9199999999999999 110.003 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 40.7 t -144.13 79.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.556 1.16 . . . . 2.7999999999999998 109.296 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -124.2 169.9 11.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 2.1000000000000001 109.307 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.89 154.05 18.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 2.4500000000000002 109.317 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 321' ' ' ILE . . . . . . . . . . . . . 1.4 mp -66.91 -64.61 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 2.3500000000000001 109.314 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 19.3 m -46.2 -34.49 4.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 2.4199999999999999 110.006 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.02 -50.37 5.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 1.9199999999999999 110.023 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 325' ' ' TRP . 3.9 mp -108.98 -65.91 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 3.5699999999999998 109.382 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 325' ' ' TRP . . . . . 0.456 ' HB3' ' CB ' ' A' ' 328' ' ' LEU . 0.0 OUTLIER -42.2 148.86 0.47 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 3.0699999999999998 107.985 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -82.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.428 1.752 . . . . 1.2 110.982 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 327' ' ' THR . . . . . . . . . . . . . 9.2 t -110.48 5.62 21.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 2.0600000000000001 110.404 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . 0.489 ' CD1' ' HD2' ' A' ' 329' ' ' PRO . 0.5 OUTLIER -44.01 130.85 4.3 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 3.4100000000000001 109.304 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 329' ' ' PRO . . . . . 0.489 ' HD2' ' CD1' ' A' ' 328' ' ' LEU . 18.0 Cg_endo -75.13 148.23 34.52 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.407 1.74 . . . . 2.6200000000000001 110.932 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 4.5 m -104.73 155.02 19.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 3.2599999999999998 110.014 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 86.07 32.51 17.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 1.3600000000000001 110.985 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 51.7 mm -47.41 130.01 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 0.745 . . . . 3.4199999999999999 109.332 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -85.99 -49.45 7.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.415 1.072 . . . . 2.5 110.334 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -138.61 110.37 7.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.414 1.071 . . . . 1.78 109.357 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -102.17 126.27 49.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 1.78 109.271 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 336' ' ' TYR . . . . . 0.552 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 15.1 p90 -152.94 122.42 6.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 4.4800000000000004 110.936 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 337' ' ' GLU . . . . . 0.42 ' CD ' ' N ' ' A' ' 338' ' ' ILE . 0.2 OUTLIER -95.62 -179.74 4.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 4.2400000000000002 110.289 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . 0.42 ' N ' ' CD ' ' A' ' 337' ' ' GLU . 19.0 tt -137.53 101.23 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 4.3600000000000003 109.243 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -68.17 78.83 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.406 1.066 . . . . 3.1200000000000001 110.34 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -159.99 -53.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 2.9700000000000002 109.32 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -112.41 4.29 17.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 3.98 110.325 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.17 70.84 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 4.0199999999999996 109.3 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -134.67 179.28 6.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 3.21 110.302 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 344' ' ' VAL . . . . . . . . . . . . . 85.6 t -147.89 125.69 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.088 . . . . 2.2599999999999998 109.36 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 345' ' ' PHE . . . . . 0.464 ' CB ' ' CZ ' ' A' ' 336' ' ' TYR . 61.1 m-85 -113.48 86.7 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 4.4400000000000004 110.999 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 13.9 mt -81.59 148.99 28.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 3.6000000000000001 109.308 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -118.85 144.54 46.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 3.3700000000000001 110.971 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 348' ' ' LYS . . . . . 0.475 ' HD3' ' CB ' ' A' ' 329' ' ' PRO . 1.5 ptmt -161.45 124.04 3.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 5.9500000000000002 109.308 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 53.76 -150.41 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 3.75 109.297 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 350' ' ' ASP . . . . . 0.477 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 5.5 p-10 -87.95 41.47 1.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 3.3599999999999999 109.225 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.477 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 24.5 mttp -155.77 154.93 32.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 3.4199999999999999 109.333 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 352' ' ' TYR . . . . . 0.529 ' CZ ' ' HB3' ' A' ' 366' ' ' LYS . 19.7 p90 -137.42 135.63 37.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 4.0999999999999996 111.011 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 353' ' ' TRP . . . . . 0.415 ' CD2' ' HG3' ' A' ' 329' ' ' PRO . 1.2 m-90 -93.64 138.65 31.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 5.0499999999999998 108.02 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 354' ' ' LEU . . . . . 0.432 ' CD2' ' HG3' ' A' ' 361' ' ' GLU . 0.0 OUTLIER -109.15 105.26 14.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 4.2999999999999998 109.299 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . 0.465 ' CD1' HD23 ' A' ' 328' ' ' LEU . 83.0 mt -83.22 145.93 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 3.2599999999999998 109.296 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 29.3 t -137.68 103.74 5.11 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.513 1.133 . . . . 2.2599999999999998 109.972 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 357' ' ' ASN . . . . . 0.511 ' O ' ' CD2' ' A' ' 358' ' ' LEU . 22.5 m-80 61.39 55.42 2.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 3.77 109.29 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 357' ' ' ASN . 0.3 OUTLIER 57.94 35.04 24.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 3.48 109.287 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.31 106.1 7.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.599 1.187 . . . . 4.8200000000000003 110.302 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 360' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 361' ' ' GLU . 18.3 Cg_endo -75.0 109.36 2.91 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.545 1.813 . . . . 1.97 110.975 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 361' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 360' ' ' PRO . 35.8 mm-40 -34.24 123.64 0.51 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 2.9100000000000001 110.281 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 124.19 8.49 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.466 1.772 . . . . 2.7799999999999998 111.03 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 363' ' ' ASN . . . . . 0.448 ' C ' ' HD3' ' A' ' 365' ' ' PRO . 18.8 m120 65.44 62.54 0.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 4.5300000000000002 109.255 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 364' ' ' TYR . . . . . 0.581 ' CE2' ' HD3' ' A' ' 366' ' ' LYS . 0.3 OUTLIER -132.64 56.83 24.61 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 3.3100000000000001 110.993 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . 0.535 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.5 Cg_endo -74.95 51.39 2.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 1.6299999999999999 111.004 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 366' ' ' LYS . . . . . 0.581 ' HD3' ' CE2' ' A' ' 364' ' ' TYR . 0.1 OUTLIER -57.45 142.87 42.53 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.524 1.14 . . . . 2.6200000000000001 109.312 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 90.2 p -118.12 129.49 55.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 2.48 109.968 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 5.7 pt -45.64 -28.05 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 2.4399999999999999 109.263 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 369' ' ' HIS . . . . . 0.629 ' NE2' ' CD1' ' A' ' 373' ' ' PHE . 15.2 m-70 -55.6 -18.86 8.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 7.0499999999999998 109.65 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 1.6 m -60.97 -25.51 66.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 2.4900000000000002 110.015 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 174.29 61.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 7.7300000000000004 111.09 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 372' ' ' GLY . . . . . 0.463 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -168.31 -63.89 0.03 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.522 1.139 . . . . 2.9500000000000002 110.987 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 373' ' ' PHE . . . . . 0.629 ' CD1' ' NE2' ' A' ' 369' ' ' HIS . 46.0 t80 -32.59 95.43 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.59 0.818 . . . . 6.0899999999999999 110.979 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 374' ' ' PRO . . . . . 0.486 ' HD2' ' CG1' ' A' ' 377' ' ' VAL . 18.4 Cg_endo -75.02 -54.97 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 2.4700000000000002 111.025 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 375' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 374' ' ' PRO . 7.2 m-20 160.74 45.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 6.3799999999999999 109.276 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 376' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 377' ' ' VAL . 0.6 OUTLIER -178.99 -48.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 6.8899999999999997 111.003 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 377' ' ' VAL . . . . . 0.486 ' CG1' ' HD2' ' A' ' 374' ' ' PRO . 3.3 p -40.07 153.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 2.9500000000000002 109.267 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.54 -38.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 4.0999999999999996 109.325 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.32 126.98 25.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 2.8900000000000001 109.363 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 13.9 mt -98.78 150.64 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 2.1200000000000001 109.317 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.55 -44.95 7.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 2.3300000000000001 109.332 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 382' ' ' ALA . . . . . 0.423 ' CB ' ' HA ' ' A' ' 431' ' ' ALA . . . -161.15 161.98 31.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 1.72 109.323 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -151.46 127.1 10.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 1.5700000000000001 109.232 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . 0.422 HG13 ' CG1' ' A' ' 432' ' ' VAL . 22.0 m -136.51 139.18 45.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 3.5099999999999998 109.315 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -90.85 132.39 35.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 6.0999999999999996 110.946 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -109.19 108.65 60.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 2.8100000000000001 109.283 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.7 18.47 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.5 1.79 . . . . 1.97 111.02 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -76.44 -27.67 56.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 3.0699999999999998 110.351 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -116.31 0.69 12.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 3.75 110.972 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 51.83 21.98 1.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 3.79 110.958 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.03 155.83 39.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 4.0300000000000002 110.254 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 91.6 m -111.89 125.55 54.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 1.77 110.408 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . 0.428 ' N ' ' CD1' ' A' ' 393' ' ' TYR . 9.1 m-30 -78.83 126.98 31.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 2.3900000000000001 111.018 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -111.53 107.17 16.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 3.6299999999999999 110.973 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -89.03 115.49 26.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.39 1.056 . . . . 1.3600000000000001 110.964 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 42.1 t -140.19 126.35 21.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 2.7599999999999998 109.338 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 1.2 t70 52.3 -152.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 3.4700000000000002 109.323 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -88.08 49.66 1.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 3.5299999999999998 109.291 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -147.39 162.94 37.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 3.2400000000000002 110.365 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -129.43 105.59 8.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 3.5699999999999998 110.991 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 7.4 m-90 -100.49 172.78 6.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 6.8300000000000001 107.965 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 402' ' ' ARG . . . . . 0.412 ' NE ' ' CE1' ' A' ' 393' ' ' TYR . 7.7 ttm180 -154.92 126.38 7.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 4.6399999999999997 110.278 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 403' ' ' TYR . . . . . 0.572 ' CE1' ' O ' ' A' ' 404' ' ' ASP . 62.2 t80 -108.98 151.43 26.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 5.3899999999999997 110.983 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . 0.572 ' O ' ' CE1' ' A' ' 403' ' ' TYR . 0.3 OUTLIER -92.58 127.92 38.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 2.04 109.245 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -88.66 -52.86 4.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 3.27 110.295 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -60.83 -50.01 75.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.593 1.183 . . . . 9.4900000000000002 110.224 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.29 -40.32 67.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 3.2799999999999998 110.352 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 74.02 30.62 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 2.8700000000000001 110.328 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 9.5 tpt -134.77 116.43 14.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 3.46 110.911 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 44.3 mtm -39.31 142.03 0.3 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 3.4100000000000001 110.965 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.72 141.26 97.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 3.1899999999999999 109.324 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 412' ' ' PRO . . . . . 0.532 ' O ' ' C ' ' A' ' 413' ' ' GLY . 18.2 Cg_endo -75.03 126.27 9.84 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.794 . . . . 4.25 110.996 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 413' ' ' GLY . . . . . 0.532 ' C ' ' O ' ' A' ' 412' ' ' PRO . . . 25.87 91.37 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.505 1.128 . . . . 3.04 110.949 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 414' ' ' TYR . . . . . 0.506 ' CE1' ' HG3' ' A' ' 416' ' ' LYS . 1.0 OUTLIER -134.22 60.12 42.01 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 2.6499999999999999 111.016 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 415' ' ' PRO . . . . . 0.481 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -75.01 73.24 4.39 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.435 1.756 . . . . 2.21 111.029 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . 0.506 ' HG3' ' CE1' ' A' ' 414' ' ' TYR . 6.0 mmtt -98.11 173.63 6.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 3.1800000000000002 109.327 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.92 163.07 27.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 3.0600000000000001 109.301 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 421' ' ' ASN . 2.8 mp -69.04 -77.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 2.0299999999999998 109.315 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 419' ' ' THR . . . . . 0.429 ' HB ' ' N ' ' A' ' 427' ' ' PRO . 7.5 t -40.03 -37.9 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 2.23 110.388 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -62.78 -50.12 72.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 2.3599999999999999 109.292 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . 0.455 ' OD1' ' CE2' ' A' ' 422' ' ' PHE . 10.3 t-20 -58.39 -46.52 86.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.095 . . . . 2.4900000000000002 109.308 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 422' ' ' PHE . . . . . 0.49 ' O ' ' CD1' ' A' ' 425' ' ' ILE . 39.0 m-85 -148.06 126.02 12.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.384 1.053 . . . . 4.6600000000000001 110.982 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -92.23 119.58 31.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 2.3500000000000001 110.275 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 150.2 -28.31 1.11 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.141 . . . . 1.52 111.001 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 425' ' ' ILE . . . . . 0.536 HG21 ' CD2' ' A' ' 442' ' ' PHE . 0.2 OUTLIER -96.15 -19.63 6.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 3.23 109.254 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 91.4 170.59 42.4 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.5 1.125 . . . . 1.0900000000000001 111.049 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . 0.429 ' N ' ' HB ' ' A' ' 419' ' ' THR . 18.4 Cg_endo -74.94 -0.59 10.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 1.23 111.084 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.82 133.2 45.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 3.6000000000000001 109.253 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 429' ' ' ILE . . . . . 0.531 ' CD1' ' CD1' ' A' ' 442' ' ' PHE . 6.7 tp -128.24 144.26 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 2.3300000000000001 109.263 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 430' ' ' ASP . 0.8 OUTLIER -93.55 -60.33 1.8 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.489 1.118 . . . . 3.1600000000000001 109.279 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . 0.423 ' HA ' ' CB ' ' A' ' 382' ' ' ALA . . . -154.73 166.05 34.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.461 1.101 . . . . 1.8300000000000001 109.296 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.551 ' HB ' ' CD1' ' A' ' 442' ' ' PHE . 6.6 p -158.12 143.64 8.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 3.2999999999999998 109.296 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 433' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 433' ' ' PHE . 5.6 p90 -142.46 123.0 14.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.095 . . . . 3.6800000000000002 110.965 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -85.88 88.87 7.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 4.9500000000000002 111.04 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 1.3 p -113.98 -14.83 12.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 2.6899999999999999 109.918 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 436' ' ' LYS . . . . . 0.481 ' HD3' ' CE1' ' A' ' 441' ' ' TYR . 0.2 OUTLIER -73.27 -167.12 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 4.7199999999999998 109.314 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -97.97 -50.68 4.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 5.4800000000000004 109.296 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . 0.459 ' HA ' ' CE ' ' A' ' 438' ' ' LYS . 0.0 OUTLIER -145.78 50.2 1.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 4.0300000000000002 109.356 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -143.33 162.49 35.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 4.0300000000000002 111.016 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -125.27 109.96 13.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 4.75 110.977 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 441' ' ' TYR . . . . . 0.481 ' CE1' ' HD3' ' A' ' 436' ' ' LYS . 3.2 m-85 -89.52 125.1 35.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.423 1.077 . . . . 3.77 110.988 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . 0.551 ' CD1' ' HB ' ' A' ' 432' ' ' VAL . 12.0 m-85 -125.23 146.98 49.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 4.4400000000000004 111.054 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 443' ' ' PHE . . . . . 0.562 ' CZ ' ' HG3' ' A' ' 448' ' ' GLN . 0.2 OUTLIER -123.68 118.73 27.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 4.96 111.025 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . 0.463 ' OE1' ' CD1' ' A' ' 429' ' ' ILE . 1.1 pm0 -145.96 91.03 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 7.5899999999999999 110.267 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 445' ' ' GLY . . . . . 0.458 ' O ' ' ND2' ' A' ' 447' ' ' ASN . . . 81.29 67.3 1.54 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.47 1.106 . . . . 3.8999999999999999 110.976 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 96.8 p 42.24 30.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.75 . . . . 2.6600000000000001 110.009 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 447' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 445' ' ' GLY . 78.8 m-20 -123.2 119.1 29.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 2.6899999999999999 109.308 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 448' ' ' GLN . . . . . 0.562 ' HG3' ' CZ ' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -106.44 100.28 9.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 4.4800000000000004 110.259 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -107.7 146.86 31.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 3.8300000000000001 110.99 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.44 143.08 48.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 4.0800000000000001 110.303 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 451' ' ' TYR . . . . . 0.471 ' CE2' ' HB3' ' A' ' 422' ' ' PHE . 3.3 t80 -117.45 123.37 46.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 4.2400000000000002 110.99 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -103.7 111.64 24.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.148 . . . . 3.1499999999999999 109.323 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -63.51 -12.26 30.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 4.9100000000000001 111.025 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . 0.415 ' CG ' HD22 ' A' ' 455' ' ' LEU . 11.2 tp -54.96 -32.68 61.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 3.1000000000000001 109.27 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 456' ' ' GLN . 0.7 OUTLIER -173.55 37.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 3.0600000000000001 109.209 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . 0.429 ' HA ' ' CE1' ' A' ' 451' ' ' TYR . 5.0 pm0 36.66 64.69 0.54 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 6.1100000000000003 110.283 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -127.02 125.58 41.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 4.0099999999999998 110.269 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 54.0 mt -90.69 106.4 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 2.4100000000000001 109.337 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 58.3 p -113.01 36.87 3.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.406 1.066 . . . . 3.1299999999999999 110.467 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -156.66 116.63 3.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 4.4900000000000002 109.288 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 23.2 p -149.48 87.11 1.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 3.0299999999999998 110.389 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 462' ' ' LEU . . . . . 0.477 ' CD2' ' HB3' ' A' ' 448' ' ' GLN . 1.1 pt? -121.78 177.34 5.31 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.538 1.149 . . . . 2.8399999999999999 109.296 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 463' ' ' LYS . . . . . 0.449 ' O ' ' CB ' ' A' ' 466' ' ' SER . 0.0 OUTLIER -111.6 155.71 22.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 3.4700000000000002 109.299 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.04 -52.68 2.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 2.6600000000000001 110.012 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -76.95 55.94 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.594 1.184 . . . . 3.52 109.257 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 466' ' ' SER . . . . . 0.465 ' HB2' ' CD1' ' A' ' 462' ' ' LEU . 49.6 m -133.5 52.65 2.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 4.1299999999999999 110.049 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 467' ' ' TRP . . . . . 0.449 ' CD1' ' O ' ' A' ' 466' ' ' SER . 0.1 OUTLIER -175.08 -42.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 7.21 108.043 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 468' ' ' PHE . . . . . 0.499 ' CE2' ' HB3' ' A' ' 281' ' ' LEU . 2.2 t80 -67.13 -39.85 86.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.531 1.145 . . . . 8.6699999999999999 111.025 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 93.9 80.33 1.48 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.513 1.133 . . . . 3.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 470' ' ' CYS . . . . . 1.081 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 1.5 t . . . . . 0 C--N 1.325 -0.497 0 N-CA-C 108.326 -0.99 . . . . 6.9699999999999998 108.326 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 471' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 277' ' ' MET . . . . . 0.453 ' C ' ' HD2' ' A' ' 279' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.558 0.218 . . . . 10.69 111.048 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . 0.528 ' N ' ' CD ' ' A' ' 279' ' ' PRO . 4.9 mt-10 -39.9 -50.06 5.76 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 9.0 110.273 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 279' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 278' ' ' GLU . 18.4 Cg_endo -74.97 124.69 8.82 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.503 1.791 . . . . 4.6200000000000001 110.991 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 280' ' ' ALA . . . . . . . . . . . . . . . -90.63 167.6 12.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 5.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 281' ' ' LEU . . . . . 0.61 ' CD1' ' CZ3' ' A' ' 307' ' ' TRP . 0.0 OUTLIER -111.14 23.45 14.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 4.5599999999999996 109.294 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 282' ' ' CYS . . . . . . . . . . . . . 10.2 t -115.38 32.7 5.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 3.23 108.221 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 283' ' ' ASP . . . . . 0.411 ' HB3' ' OD1' ' A' ' 285' ' ' ASN . 3.9 m-20 -165.84 145.33 5.25 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 3.3399999999999999 109.271 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 81.62 2.17 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 2.27 111.009 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 285' ' ' ASN . . . . . 0.411 ' OD1' ' HB3' ' A' ' 283' ' ' ASP . 0.2 OUTLIER -173.67 41.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 2.79 109.343 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.92 154.59 32.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.446 1.092 . . . . 3.7999999999999998 109.307 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 59.0 p -145.71 167.57 22.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 2.2599999999999998 110.036 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -130.04 173.05 11.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 4.6799999999999997 111.031 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.34 -49.83 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 2.9199999999999999 109.278 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . 0.432 ' CB ' HG21 ' A' ' 332' ' ' ILE . . . -138.1 152.6 48.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 1.78 109.342 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 291' ' ' VAL . . . . . 0.419 ' N ' ' HB2' ' A' ' 431' ' ' ALA . 55.8 t -141.05 159.78 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 3.5800000000000001 109.326 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 292' ' ' THR . . . . . 0.425 ' CG2' ' N ' ' A' ' 293' ' ' THR . 0.8 OUTLIER -152.89 164.45 37.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 2.98 110.397 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 293' ' ' THR . . . . . 0.425 ' N ' ' CG2' ' A' ' 292' ' ' THR . 11.6 t -137.84 144.44 41.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 2.8599999999999999 110.415 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 70.0 t -144.7 67.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 3.21 109.273 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 93.94 -108.96 3.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.132 . . . . 2.8300000000000001 111.004 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -109.83 12.91 23.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 0.756 . . . . 3.0499999999999998 109.279 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . 0.46 ' HA ' ' CG2' ' A' ' 310' ' ' VAL . 7.1 mtmm -107.88 152.35 24.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 3.73 109.348 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 2.5 pt -133.22 132.44 58.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 2.9199999999999999 109.278 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 299' ' ' PHE . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 301' ' ' PHE . 52.9 m-85 -114.18 150.96 33.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 4.04 111.001 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 300' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -142.54 132.79 24.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 3.8300000000000001 110.969 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 301' ' ' PHE . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 299' ' ' PHE . 0.1 OUTLIER -134.48 171.63 14.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 4.1399999999999997 110.949 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 302' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 303' ' ' ASP . 3.9 tptp -145.59 -113.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 5.8700000000000001 109.286 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 303' ' ' ASP . . . . . 0.412 ' N ' ' HG3' ' A' ' 302' ' ' LYS . 71.2 m-20 -77.62 -79.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 2.9300000000000002 109.258 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.64 -24.59 6.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.078 . . . . 4.7300000000000004 110.286 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . 0.563 ' CE1' HD11 ' A' ' 320' ' ' LEU . 74.3 m-85 -94.71 147.9 22.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 3.8500000000000001 111.05 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 306' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -128.3 143.84 51.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 2.02 111.027 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 307' ' ' TRP . . . . . 0.61 ' CZ3' ' CD1' ' A' ' 281' ' ' LEU . 52.1 m95 -106.66 149.07 27.61 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.013 -1.106 . . . . 6.4699999999999998 108.013 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 46.2 tp -143.62 130.81 20.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.172 . . . . 3.6600000000000001 109.298 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 309' ' ' LYS . . . . . 0.415 ' O ' ' HB ' ' A' ' 310' ' ' VAL . 22.4 tptp -152.3 102.36 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 2.9300000000000002 109.234 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 297' ' ' LYS . 3.8 p -176.81 -178.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.484 1.115 . . . . 2.96 109.353 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 311' ' ' SER . . . . . 0.472 ' O ' ' C ' ' A' ' 312' ' ' GLU . 14.3 t 45.81 87.56 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.528 1.142 . . . . 5.29 109.96 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 312' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 311' ' ' SER . 4.6 tt0 32.33 77.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.562 1.163 . . . . 4.8399999999999999 110.318 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -116.75 128.63 25.88 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 4.9900000000000002 110.286 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -34.4 3.84 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.559 1.82 . . . . 2.2400000000000002 110.995 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.1 172.49 18.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 5.2800000000000002 109.301 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 316' ' ' THR . . . . . 0.443 HG22 ' CD2' ' A' ' 468' ' ' PHE . 70.0 p -81.24 172.24 13.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.129 . . . . 2.25 110.42 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.36 137.08 15.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 2.3300000000000001 109.999 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 318' ' ' VAL . . . . . 0.579 ' HB ' ' CE3' ' A' ' 307' ' ' TRP . 7.2 p -121.02 120.03 61.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 4.6399999999999997 109.276 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -133.05 179.2 6.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 3.5299999999999998 109.299 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . 0.563 HD11 ' CE1' ' A' ' 305' ' ' PHE . 0.3 OUTLIER -86.87 149.14 25.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 2.8100000000000001 109.311 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 321' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 324' ' ' LEU . 11.0 mt -64.44 -63.17 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 2.3999999999999999 109.318 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 14.4 m -45.26 -37.71 4.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 2.2799999999999998 109.974 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.03 -37.98 69.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.8899999999999999 109.989 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 321' ' ' ILE . 7.8 tp -93.1 -74.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 4.7699999999999996 109.268 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.63 159.62 83.0 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 1.9399999999999999 107.978 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -79.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.406 1.74 . . . . 1.4099999999999999 111.01 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 327' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.33 94.21 4.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 3.1200000000000001 110.475 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . 0.405 ' CD1' ' HD2' ' A' ' 329' ' ' PRO . 1.5 mm? -126.58 154.19 75.39 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 2.1299999999999999 109.311 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 329' ' ' PRO . . . . . 0.405 ' HD2' ' CD1' ' A' ' 328' ' ' LEU . 18.5 Cg_endo -74.9 130.04 13.0 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.521 1.8 . . . . 1.95 110.994 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 1.3 m -85.27 138.85 32.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 2.4199999999999999 110.021 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 93.27 41.93 4.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.145 . . . . 1.55 111.012 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.432 HG21 ' CB ' ' A' ' 290' ' ' ALA . 21.4 mt -49.2 129.69 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 2.8999999999999999 109.321 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.27 -29.55 11.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 3.1000000000000001 110.292 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -158.72 125.72 4.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 1.6699999999999999 109.29 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -121.89 126.92 49.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 1.8500000000000001 109.279 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 336' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -131.05 101.79 5.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 4.8600000000000003 110.984 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.05 135.34 46.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 3.8700000000000001 110.322 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . . . . . . . . . 6.8 tp -118.24 132.02 69.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 5.3099999999999996 109.35 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -96.78 17.52 16.44 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.566 1.166 . . . . 3.8599999999999999 110.322 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -77.98 -52.78 8.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.591 1.182 . . . . 2.4500000000000002 109.275 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 341' ' ' ARG . . . . . 0.431 ' CG ' ' HG2' ' A' ' 343' ' ' GLN . 0.6 OUTLIER -105.88 0.38 25.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 4.4400000000000004 110.291 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 35.2 t30 68.25 51.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 2.4199999999999999 109.28 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . 0.431 ' HG2' ' CG ' ' A' ' 341' ' ' ARG . 0.0 OUTLIER -119.67 168.21 11.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.123 . . . . 4.6799999999999997 110.271 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 344' ' ' VAL . . . . . 0.429 ' N ' HE21 ' A' ' 343' ' ' GLN . 15.7 t -138.96 130.68 36.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.516 1.135 . . . . 2.8900000000000001 109.331 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 345' ' ' PHE . . . . . 0.415 ' CZ ' ' HB2' ' A' ' 347' ' ' PHE . 23.5 t80 -123.77 130.21 52.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 7.54 111.014 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -125.39 110.18 13.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 2.29 109.299 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 347' ' ' PHE . . . . . 0.423 ' CE1' HD13 ' A' ' 380' ' ' ILE . 3.3 t80 -90.51 145.11 25.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 7.8200000000000003 111.047 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 348' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.6 OUTLIER -161.05 114.9 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 5.21 109.29 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 61.13 -144.77 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 3.75 109.279 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 350' ' ' ASP . . . . . 0.479 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 19.1 p-10 -89.2 36.45 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 2.98 109.258 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 4.7 mtmt -156.09 154.02 30.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 2.5899999999999999 109.262 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 352' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 366' ' ' LYS . 5.5 p90 -145.55 133.8 21.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 3.77 111.026 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 -91.66 164.15 13.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 4.8499999999999996 108.072 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 354' ' ' LEU . . . . . 0.491 ' C ' ' CD1' ' A' ' 354' ' ' LEU . 1.7 tm? -127.4 111.39 13.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 3.9399999999999999 109.266 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . 0.439 HD11 ' N ' ' A' ' 355' ' ' ILE . 1.9 mp -91.3 110.83 22.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.165 . . . . 2.2400000000000002 109.279 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 356' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' A' ' 357' ' ' ASN . 52.3 p -99.17 104.16 16.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 3.1600000000000001 109.969 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 357' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 356' ' ' SER . 12.1 m-20 78.11 -56.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 3.8199999999999998 109.252 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . 0.424 ' CD2' ' HG2' ' A' ' 359' ' ' ARG . 0.1 OUTLIER -162.77 -49.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 6.1100000000000003 109.26 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 359' ' ' ARG . . . . . 0.424 ' HG2' ' CD2' ' A' ' 358' ' ' LEU . 0.0 OUTLIER -88.61 120.08 70.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 5.54 110.261 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 360' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 144.81 30.61 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.522 1.801 . . . . 1.53 111.042 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -49.94 128.96 21.65 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 3.1200000000000001 110.27 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 139.72 24.48 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.556 1.819 . . . . 2.4900000000000002 111.001 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 363' ' ' ASN . . . . . 0.426 ' C ' ' HD3' ' A' ' 365' ' ' PRO . 2.6 m-80 61.06 62.33 1.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 4.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 364' ' ' TYR . . . . . 0.589 ' CE2' ' HD3' ' A' ' 366' ' ' LYS . 0.4 OUTLIER -134.46 55.76 15.76 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 3.6000000000000001 111.003 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . 0.55 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -75.03 46.82 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.528 1.804 . . . . 1.28 110.979 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 366' ' ' LYS . . . . . 0.589 ' HD3' ' CE2' ' A' ' 364' ' ' TYR . 0.1 OUTLIER -49.04 151.45 1.29 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 2.9300000000000002 109.332 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.67 125.93 35.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 3.0600000000000001 109.979 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 3.7 pt -60.3 -32.36 50.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.56 1.163 . . . . 2.4900000000000002 109.293 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -21.4 64.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 4.0 109.612 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.21 -8.71 41.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 2.7000000000000002 110.036 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 175.48 58.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 7.6200000000000001 110.997 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 372' ' ' GLY . . . . . 0.485 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -165.49 -66.19 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.429 1.08 . . . . 2.96 111.023 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 373' ' ' PHE . . . . . 0.574 ' CZ ' ' O ' ' A' ' 375' ' ' ASN . 62.0 t80 -30.96 94.49 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 5.46 111.047 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 374' ' ' PRO . . . . . 0.466 ' N ' ' O ' ' A' ' 372' ' ' GLY . 18.4 Cg_endo -74.99 -61.86 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.527 1.804 . . . . 2.7999999999999998 111.038 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 375' ' ' ASN . . . . . 0.574 ' O ' ' CZ ' ' A' ' 373' ' ' PHE . 44.3 t-20 -119.74 -70.81 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 5.6799999999999997 109.297 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -145.84 66.21 1.21 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 6.3600000000000003 110.995 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 377' ' ' VAL . . . . . . . . . . . . . 71.1 t -112.3 155.29 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 3.4300000000000002 109.297 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.9 -36.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 3.5600000000000001 109.316 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -116.48 120.34 38.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 2.8199999999999998 109.35 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . 0.423 HD13 ' CE1' ' A' ' 347' ' ' PHE . 30.3 mt -105.43 158.35 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 2.3599999999999999 109.278 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 381' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 430' ' ' ASP . 0.5 OUTLIER -96.21 -45.01 7.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 2.1299999999999999 109.272 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -156.75 166.9 32.06 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.547 1.154 . . . . 1.8500000000000001 109.336 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -157.63 126.35 5.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 1.5900000000000001 109.262 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 27.5 m -138.86 150.7 23.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.533 1.146 . . . . 3.4500000000000002 109.308 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -100.38 155.72 17.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 2.4500000000000002 111.046 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 386' ' ' ASN . . . . . 0.457 ' ND2' ' CE1' ' A' ' 393' ' ' TYR . 5.8 m-20 -135.55 113.42 11.05 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 3.2200000000000002 109.276 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 387' ' ' PRO . . . . . 0.458 ' HD3' ' CE2' ' A' ' 434' ' ' TYR . 18.3 Cg_endo -75.08 -12.54 21.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.452 1.764 . . . . 2.0800000000000001 110.979 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.46 -34.0 31.69 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.492 1.12 . . . . 3.0299999999999998 110.287 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -110.55 0.03 17.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 4.4800000000000004 110.929 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 50.04 30.68 4.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 4.2199999999999998 111.02 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 21.8 mtt180 -135.77 158.94 43.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 4.8200000000000003 110.317 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 28.3 m -106.02 124.19 49.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 1.72 110.419 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . 0.457 ' CE1' ' ND2' ' A' ' 386' ' ' ASN . 5.7 m-85 -82.18 122.19 27.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 2.6299999999999999 110.939 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -112.66 116.48 30.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 3.4199999999999999 111.06 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -97.24 115.16 27.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.432 1.083 . . . . 1.8700000000000001 110.96 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 98.7 t -135.79 123.66 36.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 2.6299999999999999 109.287 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 54.58 -151.95 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.431 1.082 . . . . 3.1800000000000002 109.262 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . 0.408 ' O ' ' OD1' ' A' ' 398' ' ' ASN . 7.2 p30 -88.62 42.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 3.8799999999999999 109.324 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -141.62 163.14 33.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 3.2799999999999998 110.26 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -127.3 113.19 15.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 3.6200000000000001 111.011 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -109.49 155.63 21.1 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.043 -1.095 . . . . 6.8700000000000001 108.043 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 -143.25 130.51 20.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 3.8500000000000001 110.275 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 403' ' ' TYR . . . . . 0.459 ' CD1' ' HB2' ' A' ' 410' ' ' MET . 19.8 m-30 -113.37 157.6 21.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 8.4000000000000004 110.992 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.23 121.08 31.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 2.96 109.271 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.63 -56.25 3.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 3.4199999999999999 110.346 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 4.0 ppt_? -59.97 -35.24 74.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 7.1900000000000004 110.292 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -87.96 -38.44 15.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 4.2000000000000002 110.253 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 77.05 40.12 0.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 2.5600000000000001 110.391 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 11.0 tpp -138.05 92.21 2.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 3.6600000000000001 110.949 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 410' ' ' MET . . . . . 0.459 ' HB2' ' CD1' ' A' ' 403' ' ' TYR . 0.0 OUTLIER -53.98 136.09 41.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 2.71 110.954 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.69 113.36 55.4 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 3.2200000000000002 109.335 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -55.19 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.541 1.811 . . . . 4.7400000000000002 110.942 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . -75.8 65.81 2.5 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.438 1.086 . . . . 2.6499999999999999 111.021 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 414' ' ' TYR . . . . . 0.428 ' N ' ' HD3' ' A' ' 415' ' ' PRO . 37.2 t80 -135.29 62.42 50.57 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 3.4199999999999999 110.968 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 415' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.4 Cg_endo -74.99 106.13 2.22 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 2.7000000000000002 110.993 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -135.86 -179.19 5.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.565 1.166 . . . . 3.1000000000000001 109.297 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . 0.414 ' CB ' ' HB2' ' A' ' 420' ' ' LYS . 0.1 OUTLIER -131.97 145.99 51.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.136 . . . . 2.7999999999999998 109.335 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . 0.464 ' CD1' ' O ' ' A' ' 427' ' ' PRO . 3.5 mt -70.65 -48.84 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 2.3500000000000001 109.284 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 1.4 t -67.1 -35.96 80.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 2.5600000000000001 110.414 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . 0.414 ' HB2' ' CB ' ' A' ' 417' ' ' LEU . 47.1 mttt -66.18 -62.73 1.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 3.3700000000000001 109.283 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . 0.515 ' ND2' ' CE2' ' A' ' 422' ' ' PHE . 42.8 t30 -51.81 -50.12 61.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 3.1699999999999999 109.354 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 422' ' ' PHE . . . . . 0.515 ' CE2' ' ND2' ' A' ' 421' ' ' ASN . 61.7 m-85 -123.76 98.82 5.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 3.73 111.019 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -86.78 110.65 20.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 3.5 110.291 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 149.75 -29.88 1.14 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 1.49 111.024 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 425' ' ' ILE . . . . . 0.516 HD13 ' CE2' ' A' ' 442' ' ' PHE . 14.2 pt -88.37 -34.27 6.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.531 0.783 . . . . 3.5899999999999999 109.304 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 115.06 -179.72 18.36 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.468 1.105 . . . . 1.01 110.987 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . 0.464 ' O ' ' CD1' ' A' ' 418' ' ' ILE . 18.2 Cg_endo -74.97 -34.55 3.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.529 1.805 . . . . 1.8 111.042 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.31 147.2 40.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 3.96 109.335 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 5.1 tp -139.42 107.82 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 2.96 109.307 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 381' ' ' ASP . 8.7 m-20 -44.95 -67.4 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 2.23 109.326 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . 0.419 ' HB2' ' N ' ' A' ' 291' ' ' VAL . . . -146.79 163.3 36.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 2.02 109.297 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.462 HG21 ' CE2' ' A' ' 442' ' ' PHE . 2.3 p -160.11 149.77 6.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.137 . . . . 2.9100000000000001 109.235 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 433' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' A' ' 441' ' ' TYR . 1.9 p90 -138.11 146.41 42.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 4.8200000000000003 111.005 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 434' ' ' TYR . . . . . 0.458 ' CE2' ' HD3' ' A' ' 387' ' ' PRO . 4.2 t80 -105.15 98.12 7.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 4.21 110.949 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.69 -166.62 2.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 3.98 110.03 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 436' ' ' LYS . . . . . 0.419 ' HG3' ' CE1' ' A' ' 441' ' ' TYR . 30.6 mmtm 75.64 -141.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 7.4699999999999998 109.341 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 437' ' ' ASN . . . . . 0.457 ' O ' ' CD2' ' A' ' 439' ' ' TYR . 3.4 m-80 -112.94 98.83 7.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 6.6399999999999997 109.363 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 437' ' ' ASN . 1.3 tppp? 38.83 41.09 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 4.21 109.295 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 439' ' ' TYR . . . . . 0.457 ' CD2' ' O ' ' A' ' 437' ' ' ASN . 8.0 m-85 -124.71 142.66 51.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 4.4500000000000002 110.953 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 440' ' ' TYR . . . . . 0.444 ' HB3' ' CE1' ' A' ' 442' ' ' PHE . 44.6 m-85 -115.15 119.26 35.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.179 . . . . 3.7799999999999998 110.947 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 441' ' ' TYR . . . . . 0.577 ' HB2' ' CE2' ' A' ' 433' ' ' PHE . 7.5 m-85 -98.41 117.11 32.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 4.1699999999999999 110.983 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . 0.516 ' CE2' HD13 ' A' ' 425' ' ' ILE . 90.5 m-85 -110.53 130.14 55.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 4.9900000000000002 110.97 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 443' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -109.63 110.79 21.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 6.2400000000000002 110.986 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -133.88 69.04 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 4.0700000000000003 110.285 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 116.37 -111.95 2.47 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.505 1.128 . . . . 2.3199999999999998 110.963 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 81.8 p -126.58 39.36 3.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 2.5299999999999998 109.95 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -150.76 143.0 24.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 3.21 109.326 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 448' ' ' GLN . . . . . 0.439 ' CG ' ' HB3' ' A' ' 462' ' ' LEU . 12.6 pt20 -123.77 105.52 9.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 4.1200000000000001 110.316 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 449' ' ' PHE . . . . . 0.577 ' CD1' HG21 ' A' ' 461' ' ' THR . 55.5 m-85 -83.56 151.88 25.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 3.9300000000000002 111.021 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . 0.481 ' OE1' ' CZ ' ' A' ' 441' ' ' TYR . 2.5 tt0 -113.97 92.12 3.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 4.1100000000000003 110.322 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 451' ' ' TYR . . . . . 0.493 ' CD2' HG13 ' A' ' 458' ' ' ILE . 1.1 t80 -83.19 114.24 21.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 4.4900000000000002 111.034 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.71 139.54 37.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 3.7400000000000002 109.307 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -72.08 -8.5 54.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.584 1.178 . . . . 5.2199999999999998 111.035 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 20.1 tp -45.1 -37.17 4.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 3.0699999999999998 109.249 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -169.56 37.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.155 . . . . 3.3700000000000001 109.325 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 39.26 57.47 2.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 5.25 110.318 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.77 138.6 27.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 5.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 458' ' ' ILE . . . . . 0.493 HG13 ' CD2' ' A' ' 451' ' ' TYR . 21.0 mt -81.7 110.63 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.581 1.176 . . . . 3.1200000000000001 109.294 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 15.1 t -95.69 -32.08 12.93 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.47 1.107 . . . . 3.1299999999999999 110.389 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.02 141.63 47.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 3.8799999999999999 109.219 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 461' ' ' THR . . . . . 0.577 HG21 ' CD1' ' A' ' 449' ' ' PHE . 96.3 m -144.88 105.14 4.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 3.04 110.39 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 462' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 466' ' ' SER . 32.7 tp -100.53 160.93 13.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 4.5599999999999996 109.263 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 463' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 466' ' ' SER . 0.0 OUTLIER -107.47 131.29 54.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 5.2000000000000002 109.302 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 463' ' ' LYS . 37.1 p -35.96 -38.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 2.6800000000000002 110.059 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -101.73 56.06 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 2.8199999999999998 109.266 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 466' ' ' SER . . . . . 0.47 ' HB3' ' CD1' ' A' ' 462' ' ' LEU . 1.9 t -146.97 61.55 1.19 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 3.3900000000000001 109.985 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -171.57 -42.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 6.54 107.996 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 468' ' ' PHE . . . . . 0.507 ' N ' ' CD1' ' A' ' 468' ' ' PHE . 1.2 m-30 -72.34 -24.55 61.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 7.5599999999999996 110.958 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 98.5 57.29 1.0 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 3.1899999999999999 111.068 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 N-CA-C 108.296 -1.002 . . . . 3.8700000000000001 108.296 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 471' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 277' ' ' MET . . . . . . . . . . . . . 36.5 mmt . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.482 0.182 . . . . 8.9700000000000006 110.982 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 39.68 80.3 0.28 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 9.0299999999999994 110.332 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -58.73 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.446 1.761 . . . . 5.2800000000000002 110.996 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 280' ' ' ALA . . . . . . . . . . . . . . . -179.9 -37.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.098 . . . . 5.7699999999999996 109.38 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 281' ' ' LEU . . . . . 0.431 ' CD1' ' OG1' ' A' ' 316' ' ' THR . 0.2 OUTLIER 52.55 22.98 2.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 4.6299999999999999 109.302 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 282' ' ' CYS . . . . . 1.058 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 3.8 t -173.65 44.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 4.8499999999999996 108.306 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.03 134.41 1.16 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 4.4100000000000001 109.282 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 284' ' ' PRO . . . . . 0.457 ' HB3' ' CB ' ' A' ' 463' ' ' LYS . 18.2 Cg_endo -75.01 69.68 5.5 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.494 1.786 . . . . 2.6299999999999999 110.987 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -132.81 19.96 4.18 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.516 1.135 . . . . 4.2999999999999998 109.297 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 4.4 tp -109.46 164.53 12.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 3.5899999999999999 109.281 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 14.4 p -144.12 178.29 7.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 2.9900000000000002 109.996 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 288' ' ' PHE . . . . . 0.752 ' CE2' ' CD1' ' A' ' 300' ' ' PHE . 19.8 m-85 -140.19 171.59 13.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 4.0800000000000001 110.982 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -141.89 -51.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 3.3999999999999999 109.289 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -147.61 130.1 15.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 2.2599999999999998 109.285 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 291' ' ' VAL . . . . . . . . . . . . . 1.9 p -141.89 145.73 23.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 3.5600000000000001 109.289 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 292' ' ' THR . . . . . 0.436 ' HB ' ' CB ' ' A' ' 335' ' ' ALA . 9.1 t -147.98 126.9 12.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 2.54 110.344 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 12.7 t -90.57 155.65 18.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 2.4300000000000002 110.418 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 294' ' ' VAL . . . . . 0.401 ' O ' ' CG2' ' A' ' 294' ' ' VAL . 28.6 m -145.84 82.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 4.7000000000000002 109.33 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . 0.431 ' CA ' ' OE1' ' A' ' 339' ' ' GLU . . . 85.97 -106.71 3.08 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.51 1.131 . . . . 2.1499999999999999 110.996 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -113.28 3.72 16.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 0.776 . . . . 3.6400000000000001 109.289 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -112.53 131.34 55.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 3.3999999999999999 109.286 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 1.3 mt -107.88 126.1 64.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 3.3700000000000001 109.257 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -103.98 87.66 2.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 3.8999999999999999 110.99 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 300' ' ' PHE . . . . . 0.752 ' CD1' ' CE2' ' A' ' 288' ' ' PHE . 0.4 OUTLIER -86.44 128.13 34.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 8.25 111.042 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 301' ' ' PHE . . . . . 0.415 ' N ' ' CD1' ' A' ' 300' ' ' PHE . 94.9 m-85 -113.17 151.58 30.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 3.9399999999999999 110.996 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 302' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 305' ' ' PHE . 24.4 tptp -144.78 89.99 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 4.46 109.288 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 303' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 331' ' ' GLY . 3.0 m-20 63.76 -85.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 3.3300000000000001 109.289 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 304' ' ' ARG . . . . . 0.401 ' HG2' ' CD2' ' A' ' 305' ' ' PHE . 0.0 OUTLIER -120.78 -28.6 4.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.393 1.058 . . . . 5.4000000000000004 110.315 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . 0.504 ' HB3' ' CH2' ' A' ' 307' ' ' TRP . 65.5 m-85 -93.52 149.32 21.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 4.7400000000000002 110.935 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 306' ' ' PHE . . . . . 0.545 ' C ' ' CD1' ' A' ' 306' ' ' PHE . 2.1 p90 -135.62 160.82 37.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 2.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 307' ' ' TRP . . . . . 0.624 ' CD1' ' O ' ' A' ' 317' ' ' SER . 8.5 m-90 -137.59 127.55 25.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 5.5300000000000002 107.983 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.51 125.74 44.71 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.502 1.126 . . . . 4.0099999999999998 109.297 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.19 136.52 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 5.0899999999999999 109.306 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . 0.52 ' O ' ' C ' ' A' ' 311' ' ' SER . 0.8 OUTLIER -176.98 -77.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.157 . . . . 3.2999999999999998 109.272 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 311' ' ' SER . . . . . 0.52 ' C ' ' O ' ' A' ' 310' ' ' VAL . 9.4 t -29.07 -90.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 4.6699999999999999 110.048 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -114.43 -29.58 6.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 5.25 110.261 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 45.5 mtt85 -39.06 101.08 0.22 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 5.4000000000000004 110.335 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 -24.33 13.17 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.507 1.793 . . . . 3.5800000000000001 111.062 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -125.35 146.92 49.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 4.04 109.309 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 316' ' ' THR . . . . . 0.563 HG23 ' CE2' ' A' ' 468' ' ' PHE . 76.2 p -74.73 137.56 42.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.12 . . . . 2.3599999999999999 110.374 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 317' ' ' SER . . . . . 0.624 ' O ' ' CD1' ' A' ' 307' ' ' TRP . 4.9 t -81.2 161.96 23.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 2.2999999999999998 110.025 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 6.7 t -131.91 109.78 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 4.6299999999999999 109.313 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -153.21 176.58 11.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 2.29 109.309 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -109.12 157.24 18.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 3.0099999999999998 109.308 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 321' ' ' ILE . . . . . . . . . . . . . 5.3 mt -60.38 -71.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 2.1099999999999999 109.334 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 16.0 m -41.36 -48.57 3.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 2.46 110.017 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 1.1 m -39.77 -36.64 0.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 2.6600000000000001 110.014 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.97 -87.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 3.1499999999999999 109.259 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -43.1 153.23 0.35 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 2.1699999999999999 108.04 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 326' ' ' PRO . . . . . 0.4 ' HG2' ' CD ' ' A' ' 360' ' ' PRO . 18.2 Cg_endo -75.04 -69.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 1.05 110.954 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 327' ' ' THR . . . . . 0.415 ' O ' ' CD2' ' A' ' 328' ' ' LEU . 0.5 OUTLIER -128.57 96.67 4.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 2.5 110.391 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . 0.42 ' CD2' ' HG3' ' A' ' 360' ' ' PRO . 1.9 mm? -133.72 140.36 36.42 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 2.3300000000000001 109.327 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 329' ' ' PRO . . . . . 0.409 ' HD2' ' CD1' ' A' ' 328' ' ' LEU . 18.3 Cg_endo -74.93 118.16 5.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.483 1.781 . . . . 2.02 110.979 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 2.6 p -67.86 147.8 52.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 3.23 109.948 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 303' ' ' ASP . . . 75.53 50.95 7.63 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.464 1.102 . . . . 1.3200000000000001 111.035 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 8.7 mt -50.9 136.63 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 0.723 . . . . 2.7000000000000002 109.321 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -79.69 -33.01 41.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 3.0099999999999998 110.312 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -177.6 143.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 2.2000000000000002 109.298 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . 0.436 ' CB ' ' HB ' ' A' ' 292' ' ' THR . . . -114.99 126.42 54.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 2.1899999999999999 109.304 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 336' ' ' TYR . . . . . 0.595 ' C ' ' CD1' ' A' ' 336' ' ' TYR . 0.0 OUTLIER -139.95 103.4 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 4.5199999999999996 110.967 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 337' ' ' GLU . . . . . 0.685 ' CB ' ' HA ' ' A' ' 344' ' ' VAL . 1.2 mm-40 -160.58 -176.04 5.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 7.9299999999999997 110.263 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . 0.473 ' CG2' ' N ' ' A' ' 339' ' ' GLU . 3.6 mm -133.99 162.33 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 5.75 109.327 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . 0.473 ' N ' ' CG2' ' A' ' 338' ' ' ILE . 10.0 pt-20 -89.06 -36.2 15.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 4.7199999999999998 110.326 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -48.08 -27.04 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 3.6600000000000001 109.29 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -95.13 -23.95 17.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 5.8799999999999999 110.313 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 342' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 339' ' ' GLU . 5.0 t30 70.2 39.43 1.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 3.6499999999999999 109.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -145.31 144.37 30.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 3.21 110.331 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 344' ' ' VAL . . . . . 0.685 ' HA ' ' CB ' ' A' ' 337' ' ' GLU . 74.0 t -127.41 124.13 63.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 3.27 109.283 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 345' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -98.54 103.27 15.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.386 1.054 . . . . 4.4800000000000004 111.03 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -87.41 135.8 33.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.585 1.178 . . . . 2.8599999999999999 109.274 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -105.3 148.11 27.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 3.1699999999999999 110.962 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 348' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.0 OUTLIER -166.42 124.11 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 4.1699999999999999 109.325 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 9.1 t0 53.65 -151.88 0.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.418 1.074 . . . . 3.7999999999999998 109.279 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 350' ' ' ASP . . . . . 0.449 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 18.1 t70 -88.15 42.32 1.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 3.2999999999999998 109.257 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.449 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 11.9 mtmm -156.11 155.74 33.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 3.5600000000000001 109.256 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 352' ' ' TYR . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 366' ' ' LYS . 42.4 p90 -145.05 130.21 18.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 4.0300000000000002 111.015 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -90.2 168.15 12.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 5.1799999999999997 108.037 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 354' ' ' LEU . . . . . 0.52 ' C ' ' CD1' ' A' ' 354' ' ' LEU . 0.1 OUTLIER -131.39 116.48 17.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 3.7000000000000002 109.271 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 1.8 mp -93.41 124.88 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 2.6600000000000001 109.219 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 21.7 t -124.07 109.53 13.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 2.2400000000000002 110.034 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.14 48.35 15.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 5.5599999999999996 109.28 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.89 32.02 18.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 4.04 109.28 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -141.27 99.93 6.41 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 4.5700000000000003 110.309 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 360' ' ' PRO . . . . . 0.42 ' HG3' ' CD2' ' A' ' 328' ' ' LEU . 18.3 Cg_endo -75.02 117.67 4.99 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.48 1.779 . . . . 2.2799999999999998 110.98 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -42.35 125.12 2.84 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 3.1699999999999999 110.29 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 133.65 16.83 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.459 1.768 . . . . 3.3999999999999999 111.014 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 363' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 61.62 58.18 2.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 4.1900000000000004 109.303 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 364' ' ' TYR . . . . . 0.576 ' CE2' ' HG3' ' A' ' 366' ' ' LYS . 7.5 t80 -134.93 57.62 22.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 3.2000000000000002 110.982 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . 0.524 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -75.09 53.14 3.29 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.534 1.808 . . . . 1.6299999999999999 111.003 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 366' ' ' LYS . . . . . 0.576 ' HG3' ' CE2' ' A' ' 364' ' ' TYR . 7.4 mmpt? -53.17 147.63 9.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 3.8900000000000001 109.334 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 78.4 p -121.4 124.3 44.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 2.77 110.011 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . 0.411 ' C ' ' N ' ' A' ' 370' ' ' SER . 0.2 OUTLIER -42.95 -34.43 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 4.5099999999999998 109.338 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 369' ' ' HIS . . . . . 0.454 ' HA ' ' CB ' ' A' ' 373' ' ' PHE . 13.9 t-160 -43.01 -28.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.564 1.165 . . . . 5.0499999999999998 109.659 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 370' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 368' ' ' ILE . 0.3 OUTLIER -50.59 -22.19 1.89 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.534 1.146 . . . . 3.8100000000000001 110.007 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 173.72 54.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 7.5099999999999998 110.985 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 372' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 374' ' ' PRO . . . -162.33 -68.87 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.149 . . . . 3.2400000000000002 110.974 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 373' ' ' PHE . . . . . 0.5 ' CZ ' ' HA ' ' A' ' 376' ' ' PHE . 22.1 t80 -35.01 96.25 0.1 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.483 0.755 . . . . 7.6699999999999999 111.012 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 374' ' ' PRO . . . . . 0.437 ' N ' ' O ' ' A' ' 372' ' ' GLY . 18.6 Cg_endo -75.02 -61.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.799 . . . . 2.7999999999999998 111.068 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -122.32 -74.1 0.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.591 1.182 . . . . 5.04 109.322 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 376' ' ' PHE . . . . . 0.5 ' HA ' ' CZ ' ' A' ' 373' ' ' PHE . 14.6 m-85 -141.93 53.52 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 8.7599999999999998 111.008 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 377' ' ' VAL . . . . . . . . . . . . . 58.1 t -94.41 99.12 8.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.468 1.105 . . . . 3.3199999999999998 109.371 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.14 30.49 4.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 3.8300000000000001 109.312 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -174.57 110.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 2.98 109.277 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 8.1 mt -97.48 150.07 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 2.1299999999999999 109.246 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.98 -54.28 4.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 2.1499999999999999 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -159.78 165.12 33.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 1.98 109.265 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -156.74 129.83 7.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 1.6899999999999999 109.261 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . 0.427 HG12 ' CG1' ' A' ' 432' ' ' VAL . 0.0 OUTLIER -132.14 170.22 20.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 3.5 109.279 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -134.35 123.64 24.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 2.3999999999999999 110.981 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -102.58 119.63 55.41 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 3.1800000000000002 109.344 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -20.12 17.03 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.417 1.746 . . . . 1.78 111.026 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.99 -28.71 32.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 3.3399999999999999 110.347 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.72 -1.41 21.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 5.3700000000000001 111.009 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 39.86 44.49 1.37 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 5.0599999999999996 111.029 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -147.47 141.57 26.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 3.77 110.295 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 4.2 m -105.03 115.1 29.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 2.3500000000000001 110.447 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -79.6 130.0 34.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 3.5299999999999998 111.02 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -107.22 109.57 21.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 3.3300000000000001 111.018 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -92.11 113.53 25.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 1.3300000000000001 110.961 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 88.5 t -137.41 125.94 33.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 2.4500000000000002 109.321 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 52.83 -152.53 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 4.0899999999999999 109.231 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -87.16 46.56 1.39 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.111 . . . . 3.2799999999999998 109.349 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -145.4 164.82 30.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 3.23 110.275 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -126.69 133.71 50.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.602 1.189 . . . . 4.0099999999999998 111.05 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' TRP . . . . . 0.427 ' CZ2' ' HA ' ' A' ' 412' ' ' PRO . 0.7 OUTLIER -117.46 168.51 10.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 6.3300000000000001 108.0 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -152.37 116.16 4.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 5.4100000000000001 110.268 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -100.13 125.35 46.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 7.1900000000000004 111.02 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.41 125.54 27.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.57 1.168 . . . . 2.2999999999999998 109.354 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -93.63 -49.59 5.8 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.45 1.094 . . . . 3.5800000000000001 110.341 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -65.55 -24.17 67.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.18 . . . . 8.3900000000000006 110.306 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 407' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.0 OUTLIER -97.64 -41.84 7.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 3.1000000000000001 110.267 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . 0.44 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 1.0 OUTLIER 82.0 30.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 4.5099999999999998 110.305 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 6.7 tpt -136.54 105.17 5.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 2.8100000000000001 111.047 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.35 146.74 53.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 2.7999999999999998 110.973 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -104.24 108.02 59.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 2.9399999999999999 109.321 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 412' ' ' PRO . . . . . 0.427 ' HA ' ' CZ2' ' A' ' 401' ' ' TRP . 18.3 Cg_endo -74.99 -49.12 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.539 1.81 . . . . 5.2400000000000002 110.982 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . -77.01 55.53 3.53 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.516 1.135 . . . . 2.2799999999999998 110.948 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 414' ' ' TYR . . . . . 0.49 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 1.9 t80 -134.06 62.48 57.26 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.531 0.783 . . . . 2.5800000000000001 110.988 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 415' ' ' PRO . . . . . 0.432 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -74.96 70.82 5.17 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.493 1.786 . . . . 1.6599999999999999 111.046 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . 0.49 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 9.4 mmtt -78.53 179.41 7.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 3.8500000000000001 109.294 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.13 128.83 51.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 4.3300000000000001 109.239 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . 0.441 ' CD1' ' O ' ' A' ' 427' ' ' PRO . 2.6 mp -56.98 -51.61 66.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 2.5499999999999998 109.252 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 419' ' ' THR . . . . . 0.415 ' HB ' ' N ' ' A' ' 427' ' ' PRO . 4.6 t -59.28 -54.73 43.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 2.3700000000000001 110.364 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -49.22 -52.79 24.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 2.6800000000000002 109.328 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -53.99 -48.74 70.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 4.2199999999999998 109.265 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 422' ' ' PHE . . . . . 0.415 ' CE1' ' CE2' ' A' ' 451' ' ' TYR . 5.9 m-85 -136.34 99.75 4.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 4.4699999999999998 110.968 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -76.92 111.97 13.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 3.0600000000000001 110.326 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 141.06 -21.82 2.63 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.549 1.155 . . . . 1.4299999999999999 110.978 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 425' ' ' ILE . . . . . 0.512 HG22 ' CD1' ' A' ' 442' ' ' PHE . 9.0 pt -95.92 -31.01 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 3.1899999999999999 109.242 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 101.62 163.16 27.12 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.444 1.09 . . . . 1.0600000000000001 111.003 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . 0.441 ' O ' ' CD1' ' A' ' 418' ' ' ILE . 18.4 Cg_endo -74.94 -1.64 11.47 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 2.0699999999999998 110.999 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.16 136.23 52.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 3.0299999999999998 109.292 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -133.93 158.35 42.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 3.2599999999999998 109.308 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . 0.436 ' CB ' ' O ' ' A' ' 443' ' ' PHE . 0.9 OUTLIER -115.68 -59.76 1.96 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 2.7799999999999998 109.329 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -136.82 148.4 47.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 1.8700000000000001 109.354 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.427 ' CG1' HG12 ' A' ' 384' ' ' VAL . 41.8 t -141.19 131.52 26.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 4.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 433' ' ' PHE . . . . . 0.463 ' CE1' ' HB3' ' A' ' 441' ' ' TYR . 18.0 p90 -145.72 122.94 11.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.453 1.095 . . . . 5.1299999999999999 110.993 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -90.34 100.27 13.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 4.7400000000000002 111.011 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 37.0 t -141.64 99.51 3.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 3.3399999999999999 110.023 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 436' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt 176.18 -160.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 4.96 109.265 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -93.14 -35.19 13.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 6.8899999999999997 109.262 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.47 54.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 3.6899999999999999 109.343 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -144.02 163.42 33.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 3.3900000000000001 110.963 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -128.54 127.69 42.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.077 . . . . 4.5300000000000002 110.943 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 441' ' ' TYR . . . . . 0.463 ' HB3' ' CE1' ' A' ' 433' ' ' PHE . 14.4 m-85 -104.41 150.72 24.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.08 . . . . 4.04 110.958 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . 0.512 ' CD1' HG22 ' A' ' 425' ' ' ILE . 2.2 m-85 -145.94 142.52 28.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 4.8600000000000003 111.008 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 443' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 464' ' ' SER . 0.2 OUTLIER -116.06 111.97 21.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 4.6699999999999999 110.968 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . 0.402 ' O ' ' ND2' ' A' ' 447' ' ' ASN . 2.3 tm0? -130.74 62.07 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 4.9800000000000004 110.269 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 445' ' ' GLY . . . . . 0.431 ' O ' ' ND2' ' A' ' 447' ' ' ASN . . . 90.97 79.36 1.38 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.123 . . . . 2.8700000000000001 110.959 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 1.5 t 42.32 54.69 4.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 3.2000000000000002 110.03 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 447' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 445' ' ' GLY . 59.0 m-20 -144.72 110.75 5.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 2.9300000000000002 109.292 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.25 77.25 1.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 4.4900000000000002 110.329 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -81.43 145.68 30.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 3.27 110.969 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.64 137.41 54.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 2.9399999999999999 110.257 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 451' ' ' TYR . . . . . 0.415 ' CE2' ' CE1' ' A' ' 422' ' ' PHE . 73.1 t80 -115.16 129.93 56.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 5.2699999999999996 110.978 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 452' ' ' ASP . . . . . 0.402 ' OD1' ' CB ' ' A' ' 454' ' ' LEU . 64.2 t0 -110.32 114.27 27.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 3.4300000000000002 109.267 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -64.75 -18.77 65.35 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 6.1900000000000004 110.956 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . 0.402 ' CB ' ' OD1' ' A' ' 452' ' ' ASP . 22.6 tp -42.96 -41.55 3.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 4.0499999999999998 109.244 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 456' ' ' GLN . 1.4 pt? -170.16 43.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 3.52 109.301 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 455' ' ' LEU . 14.2 pt20 37.85 64.08 0.72 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.425 1.078 . . . . 6.3499999999999996 110.312 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -125.28 110.44 14.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 4.71 110.34 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 81.3 mt -88.4 94.05 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.066 . . . . 2.27 109.376 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 10.6 p -107.17 45.51 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.58 1.175 . . . . 4.4000000000000004 110.427 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 460' ' ' LYS . . . . . 0.411 ' HA ' ' CE ' ' A' ' 460' ' ' LYS . 0.0 OUTLIER -155.39 74.94 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 4.5599999999999996 109.376 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 1.9 m -106.52 75.96 1.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 3.8900000000000001 110.373 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 462' ' ' LEU . . . . . 0.419 HD11 ' CA ' ' A' ' 466' ' ' SER . 1.9 pt? -128.36 -179.73 5.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 3.79 109.302 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 463' ' ' LYS . . . . . 0.529 ' N ' ' CD ' ' A' ' 463' ' ' LYS . 0.1 OUTLIER -89.37 169.09 11.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 4.4100000000000001 109.348 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.571 ' HB2' ' CE1' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -43.67 -28.4 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 2.04 109.969 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 468' ' ' PHE . 20.9 m120 -38.44 -34.35 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 3.7999999999999998 109.372 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 466' ' ' SER . . . . . 0.419 ' CA ' HD11 ' A' ' 462' ' ' LEU . 0.9 OUTLIER -43.09 -47.21 6.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 5.5 109.97 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 467' ' ' TRP . . . . . 0.61 ' O ' ' CD1' ' A' ' 468' ' ' PHE . 0.1 OUTLIER -93.23 45.89 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.026 -1.101 . . . . 8.0 108.026 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 468' ' ' PHE . . . . . 0.61 ' CD1' ' O ' ' A' ' 467' ' ' TRP . 10.9 m-85 -159.35 -41.37 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 7.7300000000000004 110.986 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 109.58 78.18 1.01 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.574 1.171 . . . . 4.8399999999999999 111.011 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 470' ' ' CYS . . . . . 1.058 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 N-CA-C 108.294 -1.002 . . . . 5.3799999999999999 108.294 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 471' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 277' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 120.509 0.195 . . . . 11.529999999999999 111.058 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -80.67 163.06 58.1 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 6.9199999999999999 110.331 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 177.53 8.45 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.533 1.807 . . . . 4.1900000000000004 111.007 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 280' ' ' ALA . . . . . . . . . . . . . . . 178.48 100.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 3.6800000000000002 109.293 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 281' ' ' LEU . . . . . 0.566 HD21 ' CZ2' ' A' ' 307' ' ' TRP . 0.2 OUTLIER -100.4 77.23 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 3.46 109.297 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 282' ' ' CYS . . . . . 1.05 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 0.1 OUTLIER 174.1 -75.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 4.4299999999999997 108.32 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.13 131.12 92.23 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 4.0499999999999998 109.285 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 84.02 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.524 1.802 . . . . 2.5899999999999999 110.991 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -155.09 26.2 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 2.5299999999999998 109.311 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.14 161.38 13.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.118 . . . . 2.8700000000000001 109.339 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 71.0 m -144.6 162.83 35.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 3.6400000000000001 109.977 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -131.88 157.11 44.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 3.1400000000000001 110.933 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -98.22 -47.59 5.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 2.7400000000000002 109.262 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -143.76 155.18 44.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 1.8500000000000001 109.303 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 291' ' ' VAL . . . . . 0.443 HG23 ' CB ' ' A' ' 431' ' ' ALA . 29.4 m -142.24 129.8 20.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.372 1.045 . . . . 3.0499999999999998 109.333 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 6.4 t -155.04 130.21 9.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 2.1099999999999999 110.303 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 10.0 t -110.14 156.99 19.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 3.8399999999999999 110.458 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 24.2 t -140.02 93.5 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 3.0899999999999999 109.297 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 82.23 -115.45 4.02 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 1.8899999999999999 111.0 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -106.49 9.04 31.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 3.46 109.264 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . 0.557 ' HG2' ' CZ ' ' A' ' 299' ' ' PHE . 7.1 tttt -114.66 141.27 48.03 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.567 1.167 . . . . 4.9400000000000004 109.282 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 11.3 mt -119.65 140.48 43.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 3.3500000000000001 109.266 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 299' ' ' PHE . . . . . 0.557 ' CZ ' ' HG2' ' A' ' 297' ' ' LYS . 35.0 m-85 -128.71 138.64 52.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 4.29 111.009 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 300' ' ' PHE . . . . . 0.41 ' CD1' HG13 ' A' ' 291' ' ' VAL . 24.3 m-85 -131.43 118.39 20.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 3.8599999999999999 111.039 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -89.46 145.35 25.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 3.7599999999999998 110.927 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -153.92 71.57 0.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 3.8700000000000001 109.312 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 43.81 85.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 3.1800000000000002 109.328 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 75.89 -56.29 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 8.0800000000000001 110.33 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . 0.527 ' CD2' ' HB ' ' A' ' 318' ' ' VAL . 3.2 m-85 -80.06 122.54 26.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 4.1799999999999997 111.041 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 306' ' ' PHE . . . . . 0.535 ' CD1' HG13 ' A' ' 321' ' ' ILE . 52.3 p90 -121.85 137.79 54.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.448 1.092 . . . . 2.23 111.046 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 307' ' ' TRP . . . . . 0.566 ' CZ2' HD21 ' A' ' 281' ' ' LEU . 4.2 m0 -89.4 127.69 35.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 6.7800000000000002 107.999 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.35 119.07 35.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.078 . . . . 2.8100000000000001 109.307 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 309' ' ' LYS . . . . . 0.42 ' HB2' ' CG2' ' A' ' 316' ' ' THR . 6.4 tptt -136.93 90.26 2.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 2.9500000000000002 109.274 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . 0.407 ' CG2' ' HA ' ' A' ' 297' ' ' LYS . 7.7 p -114.11 170.06 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 3.9700000000000002 109.364 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.5 139.32 55.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 5.5199999999999996 110.004 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 70.39 33.13 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 4.71 110.276 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -106.41 131.3 21.83 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 6.1799999999999997 110.303 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -43.23 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.482 1.78 . . . . 2.8500000000000001 110.991 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.03 172.25 17.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.09 . . . . 4.1399999999999997 109.333 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 316' ' ' THR . . . . . 0.42 ' CG2' ' HB2' ' A' ' 309' ' ' LYS . 32.6 p -95.04 131.33 41.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 2.6200000000000001 110.435 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.47 176.46 6.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 2.1800000000000002 109.945 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 318' ' ' VAL . . . . . 0.527 ' HB ' ' CD2' ' A' ' 305' ' ' PHE . 0.7 OUTLIER -142.1 60.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 3.48 109.252 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . 0.436 ' O ' ' CD1' ' A' ' 306' ' ' PHE . 0.8 OUTLIER -94.41 174.23 7.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 2.9500000000000002 109.274 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -88.94 141.12 28.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 5.3099999999999996 109.365 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 321' ' ' ILE . . . . . 0.535 HG13 ' CD1' ' A' ' 306' ' ' PHE . 2.5 mt -70.16 -50.23 48.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 2.6699999999999999 109.236 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 322' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 324' ' ' LEU . 0.5 OUTLIER -38.2 -37.61 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 2.6200000000000001 109.988 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 13.0 t -41.31 -27.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 2.9900000000000002 109.987 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 322' ' ' SER . 3.2 mp -113.45 -73.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 3.02 109.276 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 5.2 m0 -51.84 139.59 31.35 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 2.7599999999999998 108.024 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -87.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.512 1.796 . . . . 1.75 111.017 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 327' ' ' THR . . . . . 0.431 HG23 ' CZ3' ' A' ' 353' ' ' TRP . 1.4 t -97.75 89.58 4.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 2.6400000000000001 110.443 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -140.95 162.28 49.26 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 3.1499999999999999 109.293 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 329' ' ' PRO . . . . . 0.435 ' O ' ' CB ' ' A' ' 330' ' ' SER . 18.3 Cg_endo -75.0 -41.78 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.555 1.819 . . . . 3.1200000000000001 110.997 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 330' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 329' ' ' PRO . 0.9 OUTLIER 80.07 1.1 2.05 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.553 1.158 . . . . 5.1100000000000003 110.022 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -140.3 57.29 0.6 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.517 1.135 . . . . 2.0499999999999998 110.973 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.15 149.27 10.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.441 0.73 . . . . 2.8399999999999999 109.301 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -106.36 -21.29 13.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.587 1.179 . . . . 3.6299999999999999 110.326 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -141.61 111.58 6.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 1.96 109.299 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -120.59 136.52 54.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 1.8999999999999999 109.34 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 336' ' ' TYR . . . . . 0.515 ' C ' ' CD1' ' A' ' 336' ' ' TYR . 0.0 OUTLIER -127.5 171.97 11.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 4.1900000000000004 110.941 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 337' ' ' GLU . . . . . 0.476 ' N ' ' CG ' ' A' ' 336' ' ' TYR . 50.5 tp10 -147.49 159.75 43.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 3.6299999999999999 110.343 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . 0.572 HD11 ' CD1' ' A' ' 385' ' ' PHE . 1.3 tt -152.1 100.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 4.4100000000000001 109.334 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.31 -14.74 62.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 2.9300000000000002 110.323 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -69.27 -50.92 42.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 3.6000000000000001 109.284 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 341' ' ' ARG . . . . . 0.466 ' O ' ' CB ' ' A' ' 342' ' ' ASN . 14.3 mtp180 -89.57 -32.24 17.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 4.1200000000000001 110.301 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 342' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 341' ' ' ARG . 0.5 OUTLIER 79.37 52.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 2.8399999999999999 109.253 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.18 148.17 39.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 4.6299999999999999 110.327 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 344' ' ' VAL . . . . . 0.438 ' CG2' ' OE1' ' A' ' 337' ' ' GLU . 23.3 t -116.09 139.46 42.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 2.6600000000000001 109.252 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 345' ' ' PHE . . . . . 0.404 ' HB2' ' CD1' ' A' ' 336' ' ' TYR . 0.0 OUTLIER -122.58 137.86 54.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 5.0199999999999996 110.955 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -118.11 131.23 56.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 2.5099999999999998 109.288 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -109.73 140.07 44.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.09 . . . . 3.3199999999999998 111.021 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 348' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.1 OUTLIER -160.48 111.11 1.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 5.1399999999999997 109.368 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 3.1 t0 57.51 -150.4 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 3.0299999999999998 109.349 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 350' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 38.6 p-10 -84.78 41.26 0.85 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 3.1899999999999999 109.219 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.409 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 10.8 mttp -156.43 141.53 17.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 2.3599999999999999 109.335 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 352' ' ' TYR . . . . . 0.562 ' CD1' HG22 ' A' ' 368' ' ' ILE . 43.7 p90 -146.96 123.92 11.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.423 1.077 . . . . 4.1200000000000001 111.019 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 353' ' ' TRP . . . . . 0.435 ' CZ3' ' O ' ' A' ' 361' ' ' GLU . 31.4 m95 -92.05 158.63 16.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 7.7400000000000002 107.979 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 354' ' ' LEU . . . . . 0.499 ' C ' ' CD1' ' A' ' 354' ' ' LEU . 0.0 OUTLIER -118.9 117.22 28.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 2.7200000000000002 109.288 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 2.7 mp -91.37 107.94 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 2.1499999999999999 109.281 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 18.3 t -87.59 98.6 11.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 2.5800000000000001 109.973 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 73.93 -63.68 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 4.0599999999999996 109.362 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -165.97 30.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 4.4400000000000004 109.295 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 1.5 tpt85 -148.21 115.73 3.99 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 6.3300000000000001 110.26 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 360' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.78 22.15 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.558 1.82 . . . . 1.5 111.021 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 361' ' ' GLU . . . . . 0.435 ' O ' ' CZ3' ' A' ' 353' ' ' TRP . 16.6 mm-40 -56.99 122.2 51.38 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 2.3199999999999998 110.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.23 15.22 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 2.1200000000000001 110.984 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 363' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 62.73 61.4 1.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 4.5700000000000003 109.309 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 364' ' ' TYR . . . . . 0.522 ' N ' ' HD3' ' A' ' 365' ' ' PRO . 2.6 t80 -135.75 57.46 19.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 3.6099999999999999 111.053 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . 0.522 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -74.98 49.4 2.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 1.5900000000000001 110.999 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 366' ' ' LYS . . . . . 0.436 ' CB ' ' CZ ' ' A' ' 352' ' ' TYR . 7.2 mmpt? -51.82 153.89 2.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 3.1499999999999999 109.251 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 367' ' ' SER . . . . . 0.574 ' HB3' ' CE1' ' A' ' 369' ' ' HIS . 18.4 m -122.61 120.95 35.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 2.3500000000000001 110.042 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . 0.562 HG22 ' CD1' ' A' ' 352' ' ' TYR . 8.4 pt -60.52 -31.43 48.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 2.7599999999999998 109.276 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 369' ' ' HIS . . . . . 0.574 ' CE1' ' HB3' ' A' ' 367' ' ' SER . 3.4 p-80 -68.15 -29.66 68.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 5.2800000000000002 109.677 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 29.1 t -68.62 -7.81 36.36 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.541 1.15 . . . . 3.04 109.967 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -99.64 36.32 1.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 6.1299999999999999 111.078 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . 121.04 -69.99 0.4 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.485 1.115 . . . . 4.1299999999999999 110.986 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 373' ' ' PHE . . . . . 0.565 ' O ' ' CD2' ' A' ' 373' ' ' PHE . 3.4 t80 58.16 102.72 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.439 0.729 . . . . 6.1200000000000001 110.963 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 374' ' ' PRO . . . . . 0.409 ' CG ' HG21 ' A' ' 377' ' ' VAL . 18.5 Cg_endo -74.97 -78.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 2.9399999999999999 111.006 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 375' ' ' ASN . . . . . 0.479 ' ND2' ' H ' ' A' ' 376' ' ' PHE . 0.4 OUTLIER -122.61 -75.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 7.8700000000000001 109.308 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 376' ' ' PHE . . . . . 0.479 ' H ' ' ND2' ' A' ' 375' ' ' ASN . 1.6 t80 -126.91 82.57 2.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 9.0199999999999996 110.961 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 377' ' ' VAL . . . . . 0.409 HG21 ' CG ' ' A' ' 374' ' ' PRO . 87.5 t -126.11 80.54 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 3.4399999999999999 109.351 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.05 -0.44 10.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 4.54 109.335 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.19 127.1 7.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 4.5700000000000003 109.312 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 9.0 mt -98.46 150.15 5.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 1.96 109.272 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.89 -47.04 13.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 1.9199999999999999 109.299 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -153.39 158.12 40.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 1.75 109.26 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -150.74 120.38 6.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 1.78 109.346 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 9.0 p -140.29 157.06 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.374 1.047 . . . . 3.2799999999999998 109.28 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 385' ' ' PHE . . . . . 0.572 ' CD1' HD11 ' A' ' 338' ' ' ILE . 51.8 t80 -98.42 153.43 18.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 2.7200000000000002 111.021 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 386' ' ' ASN . . . . . 0.431 ' ND2' ' CE1' ' A' ' 393' ' ' TYR . 0.3 OUTLIER -113.46 120.87 38.85 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 3.8399999999999999 109.322 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -44.38 0.34 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 2.7999999999999998 111.009 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 1.3 tpt85 -84.39 44.06 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 3.04 110.3 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 389' ' ' PHE . . . . . 0.589 ' C ' ' CG ' ' A' ' 390' ' ' TYR . 0.1 OUTLIER -171.07 -36.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 4.0 110.986 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 390' ' ' TYR . . . . . 0.589 ' CG ' ' C ' ' A' ' 389' ' ' PHE . 1.9 m-85 73.01 30.07 1.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 3.46 110.992 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 10.6 mtt85 -133.92 154.29 51.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 4.0599999999999996 110.3 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 20.7 m -86.35 179.4 6.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 2.21 110.406 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . 0.431 ' CE1' ' ND2' ' A' ' 386' ' ' ASN . 7.5 m-85 -136.41 113.13 10.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 2.48 110.984 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -99.4 103.65 15.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 4.4699999999999998 111.017 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . 0.449 ' CE1' HG22 ' A' ' 418' ' ' ILE . 18.5 m-85 -101.74 112.22 24.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 1.8899999999999999 111.024 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 3.9 p -138.85 130.94 37.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.39 1.056 . . . . 3.8700000000000001 109.281 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 397' ' ' ASP . . . . . 0.455 ' N ' ' OD1' ' A' ' 397' ' ' ASP . 0.1 OUTLIER 55.7 -152.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 3.25 109.284 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 398' ' ' ASN . 34.1 t30 -87.97 50.31 1.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 3.7599999999999998 109.311 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 399' ' ' GLN . . . . . 0.45 ' HB3' ' CZ3' ' A' ' 401' ' ' TRP . 0.2 OUTLIER -150.18 167.02 28.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 2.77 110.303 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 400' ' ' TYR . . . . . 0.453 ' CE1' ' O ' ' A' ' 401' ' ' TRP . 0.6 OUTLIER -143.39 120.08 11.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 4.1500000000000004 110.976 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' TRP . . . . . 0.453 ' O ' ' CE1' ' A' ' 400' ' ' TYR . 11.6 m-90 -108.84 179.49 4.16 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.943 -1.132 . . . . 6.4400000000000004 107.943 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 402' ' ' ARG . . . . . 0.41 ' NH1' ' CD2' ' A' ' 389' ' ' PHE . 1.3 tpp180 -145.31 127.31 15.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.581 1.176 . . . . 5.0899999999999999 110.259 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -119.0 129.64 55.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 5.9199999999999999 111.016 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.39 128.5 35.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 3.0099999999999998 109.278 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -86.22 -50.63 6.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.599 1.187 . . . . 4.1799999999999997 110.329 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -61.36 -56.64 18.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 11.880000000000001 110.233 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -67.23 -38.75 85.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 4.54 110.3 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 70.5 49.77 0.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 5.1900000000000004 110.34 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 4.6 tpt -149.81 100.73 2.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 3.0899999999999999 111.071 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.17 140.04 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 2.96 110.97 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.88 158.68 85.46 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 4.3300000000000001 109.261 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 412' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -75.01 134.46 17.82 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.463 1.77 . . . . 3.9399999999999999 111.039 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 43.37 -92.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.424 1.077 . . . . 3.1899999999999999 110.974 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 414' ' ' TYR . . . . . 0.587 ' N ' ' HD3' ' A' ' 415' ' ' PRO . 0.1 OUTLIER 63.79 53.89 1.57 Allowed Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.517 0.775 . . . . 4.5800000000000001 111.037 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 415' ' ' PRO . . . . . 0.587 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.4 Cg_endo -74.89 60.34 5.33 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.524 1.802 . . . . 3.1400000000000001 111.032 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . 0.447 ' NZ ' ' CE2' ' A' ' 414' ' ' TYR . 8.5 mtpt -92.45 177.14 6.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 7.7599999999999998 109.265 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.26 163.44 20.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 3.8300000000000001 109.29 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . 0.449 HG22 ' CE1' ' A' ' 395' ' ' PHE . 2.8 mp -70.18 -56.39 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 2.3900000000000001 109.281 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 419' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 423' ' ' GLN . 3.9 t -57.12 -54.11 50.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 2.4399999999999999 110.414 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -40.59 -52.42 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 4.2000000000000002 109.267 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -70.58 -62.97 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 4.0800000000000001 109.323 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 422' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -118.93 80.97 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 3.7799999999999998 111.022 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 423' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 419' ' ' THR . 0.0 OUTLIER -87.2 66.84 9.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 3.3100000000000001 110.321 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -118.72 -18.36 4.82 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.5 1.125 . . . . 2.4199999999999999 111.023 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 425' ' ' ILE . . . . . 0.482 ' CG2' ' HB2' ' A' ' 449' ' ' PHE . 0.2 OUTLIER -126.41 -43.38 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 4.8399999999999999 109.298 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 426' ' ' GLY . . . . . 0.434 ' C ' ' H ' ' A' ' 428' ' ' LYS . . . 152.09 175.35 23.65 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.458 1.099 . . . . 1.4299999999999999 111.032 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . 0.46 ' HB3' ' CG2' ' A' ' 419' ' ' THR . 18.1 Cg_endo -75.07 40.97 0.7 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.45 1.763 . . . . 2.1800000000000002 110.916 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . 0.434 ' H ' ' C ' ' A' ' 426' ' ' GLY . 0.0 OUTLIER -159.72 141.07 12.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 4.1299999999999999 109.311 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 429' ' ' ILE . . . . . 0.487 ' CD1' ' HB3' ' A' ' 442' ' ' PHE . 7.5 tp -133.88 154.28 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 2.7400000000000002 109.351 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -117.91 -60.01 1.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 2.8199999999999998 109.279 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . 0.443 ' CB ' HG23 ' A' ' 291' ' ' VAL . . . -137.21 146.41 44.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 1.8100000000000001 109.268 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.436 ' CG1' HG12 ' A' ' 429' ' ' ILE . 29.3 m -149.63 138.81 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 3.79 109.274 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 433' ' ' PHE . . . . . 0.546 ' CE2' ' HB3' ' A' ' 435' ' ' SER . 1.5 p90 -155.0 146.18 22.81 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 3.98 111.019 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -97.62 106.56 18.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 5.1799999999999997 110.998 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 435' ' ' SER . . . . . 0.546 ' HB3' ' CE2' ' A' ' 433' ' ' PHE . 98.5 p -116.39 -36.09 4.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 3.23 110.0 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 436' ' ' LYS . . . . . 0.413 ' CB ' ' HB2' ' A' ' 439' ' ' TYR . 3.5 mmmt -62.0 -169.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 5.2800000000000002 109.318 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -91.35 -46.39 8.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 6.25 109.326 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 438' ' ' LYS . 0.0 OUTLIER -146.67 58.08 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 5.04 109.284 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 439' ' ' TYR . . . . . 0.504 ' CD1' ' OE2' ' A' ' 450' ' ' GLU . 89.1 m-85 -152.46 166.61 31.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.576 1.172 . . . . 3.5 111.022 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -128.94 132.26 47.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 4.1799999999999997 111.039 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 441' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -102.47 123.65 46.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 3.1600000000000001 111.032 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . 0.487 ' HB3' ' CD1' ' A' ' 429' ' ' ILE . 15.1 m-85 -123.32 146.1 48.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 4.75 110.999 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 443' ' ' PHE . . . . . 0.552 ' C ' ' CD1' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -148.75 144.44 27.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 7.1100000000000003 110.973 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -153.84 85.61 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.077 . . . . 5.6399999999999997 110.322 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 124.19 -89.8 0.4 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.141 . . . . 2.1200000000000001 111.0 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.8 43.99 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 3.4500000000000002 109.978 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -154.6 144.8 21.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 2.79 109.275 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -127.22 95.98 4.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 4.8200000000000003 110.293 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 449' ' ' PHE . . . . . 0.517 ' CE1' HG23 ' A' ' 461' ' ' THR . 3.8 m-85 -88.64 162.22 16.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 3.48 111.003 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . 0.504 ' OE2' ' CD1' ' A' ' 439' ' ' TYR . 45.1 tt0 -123.45 143.94 49.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 2.77 110.307 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -115.08 153.13 31.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 4.1699999999999999 111.029 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -141.3 127.82 20.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 3.2400000000000002 109.305 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 454' ' ' LEU . 25.6 t80 -64.22 -15.95 61.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 4.8499999999999996 110.904 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 453' ' ' PHE . 6.6 tp -39.6 -48.14 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 3.8500000000000001 109.318 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.421 ' CD1' ' HB2' ' A' ' 457' ' ' ARG . 0.3 OUTLIER -171.88 37.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 4.4500000000000002 109.334 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 46.85 74.0 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 4.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 457' ' ' ARG . . . . . 0.421 ' HB2' ' CD1' ' A' ' 455' ' ' LEU . 0.0 OUTLIER -139.81 176.18 8.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 5.4100000000000001 110.297 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 1.1 mp -112.87 122.24 66.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 2.4199999999999999 109.32 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 45.4 p -95.74 -55.83 2.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 4.7400000000000002 110.39 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.02 157.48 24.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.592 1.183 . . . . 6.4800000000000004 109.274 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 461' ' ' THR . . . . . 0.517 HG23 ' CE1' ' A' ' 449' ' ' PHE . 3.2 m -152.86 113.83 4.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 3.52 110.376 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.1 169.79 8.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 4.2400000000000002 109.277 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.79 59.2 1.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.092 . . . . 4.3600000000000003 109.315 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 59.8 p 42.64 36.07 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 3.3599999999999999 110.032 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -175.93 54.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 2.7999999999999998 109.408 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 466' ' ' SER . . . . . 0.594 ' O ' ' CD1' ' A' ' 467' ' ' TRP . 3.6 m -112.78 -17.23 12.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 3.1800000000000002 110.039 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 467' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 466' ' ' SER . 9.5 m0 -145.41 68.19 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 8.0 108.026 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 468' ' ' PHE . . . . . 0.537 ' CG ' ' O ' ' A' ' 467' ' ' TRP . 88.0 m-85 -162.35 -66.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 8.8399999999999999 111.023 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -132.25 -46.84 0.12 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 3.5899999999999999 110.976 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 470' ' ' CYS . . . . . 1.05 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 39.6 m . . . . . 0 C--N 1.325 -0.463 0 N-CA-C 108.301 -1.0 . . . . 4.25 108.301 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 471' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 277' ' ' MET . . . . . 0.421 ' HG2' ' CD1' ' A' ' 305' ' ' PHE . 5.0 mtm . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.482 0.182 . . . . 11.42 111.028 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -131.82 111.2 14.65 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.601 1.188 . . . . 6.75 110.267 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 279' ' ' PRO . . . . . 0.402 ' O ' ' CB ' ' A' ' 280' ' ' ALA . 18.3 Cg_endo -74.99 -51.68 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.537 1.809 . . . . 4.46 110.97 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 280' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 279' ' ' PRO . . . 169.63 103.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 4.0499999999999998 109.342 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 281' ' ' LEU . . . . . 0.414 ' HG ' ' CE2' ' A' ' 468' ' ' PHE . 1.9 mm? -71.65 -46.11 59.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 4.7800000000000002 109.29 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 282' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.42 60.13 3.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 4.2699999999999996 108.277 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -178.94 111.43 0.21 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 4.6500000000000004 109.301 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 90.64 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.557 1.819 . . . . 2.1299999999999999 110.969 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 285' ' ' ASN . . . . . 0.472 ' N ' HD21 ' A' ' 285' ' ' ASN . 0.1 OUTLIER -170.57 48.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 3.9300000000000002 109.354 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 6.5 tt -113.03 163.68 14.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 4.3799999999999999 109.362 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 54.4 p -142.93 163.18 33.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 3.2200000000000002 110.0 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -124.49 176.99 6.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 3.1099999999999999 111.049 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 289' ' ' ASP . . . . . 0.98 ' O ' 'CA ' ' A' ' 471' ' ' ' CA' . 0.2 OUTLIER -132.46 -48.74 0.9 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.103 . . . . 3.3199999999999998 109.299 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . 0.45 ' CB ' HG23 ' A' ' 332' ' ' ILE . . . -137.58 147.91 45.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 1.96 109.254 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 291' ' ' VAL . . . . . 0.457 HG23 ' CB ' ' A' ' 431' ' ' ALA . 28.1 m -147.24 140.91 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 3.25 109.334 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -151.04 156.83 41.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 2.4199999999999999 110.383 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 8.8 t -121.59 141.0 51.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 3.3599999999999999 110.426 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 87.3 t -128.11 122.0 57.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 3.3199999999999998 109.338 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 57.35 -118.27 12.05 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 1.6899999999999999 110.944 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 296' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 296' ' ' ASN . 7.7 t30 -109.52 23.29 14.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 4.29 109.343 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -131.03 165.56 22.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.073 . . . . 5.04 109.292 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 298' ' ' ILE . . . . . 0.56 HG23 ' CZ ' ' A' ' 300' ' ' PHE . 5.7 mt -124.39 135.72 62.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 4.1399999999999997 109.27 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 299' ' ' PHE . . . . . 0.582 ' CE2' HD13 ' A' ' 308' ' ' LEU . 8.1 m-85 -133.35 97.85 4.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 4.5999999999999996 111.031 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 300' ' ' PHE . . . . . 0.56 ' CZ ' HG23 ' A' ' 298' ' ' ILE . 26.3 m-85 -80.8 156.99 25.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 3.9500000000000002 111.04 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 301' ' ' PHE . . . . . 0.442 ' HA ' ' CB ' ' A' ' 306' ' ' PHE . 9.3 m-85 -131.17 157.91 41.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 4.5499999999999998 111.01 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 302' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 305' ' ' PHE . 0.0 OUTLIER -165.14 143.12 6.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 5.0700000000000003 109.305 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 303' ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' A' ' 304' ' ' ARG . 3.7 t0 -42.3 144.69 0.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.592 1.182 . . . . 4.4400000000000004 109.295 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 304' ' ' ARG . . . . . 0.47 ' HB2' ' O ' ' A' ' 303' ' ' ASP . 0.0 OUTLIER 68.86 -72.14 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 7.5300000000000002 110.363 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . 0.491 ' O ' ' O ' ' A' ' 302' ' ' LYS . 7.2 m-85 -127.43 159.1 35.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 3.73 110.988 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 306' ' ' PHE . . . . . 0.442 ' CB ' ' HA ' ' A' ' 301' ' ' PHE . 8.8 p90 -119.73 176.09 5.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 2.4199999999999999 110.981 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 307' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -127.4 162.47 26.25 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.552 1.158 . . . . 5.8600000000000003 108.038 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . 0.582 HD13 ' CE2' ' A' ' 299' ' ' PHE . 3.1 tt -153.79 122.81 6.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 4.79 109.278 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -152.35 117.05 5.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 4.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . 0.417 HG23 ' N ' ' A' ' 298' ' ' ILE . 2.4 p -140.17 -173.29 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 4.3600000000000003 109.251 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 4.8 m -66.47 141.05 58.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 8.9199999999999999 110.018 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 72.19 28.24 2.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 6.2800000000000002 110.332 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 313' ' ' ARG . . . . . 0.408 ' NH2' ' HB2' ' A' ' 317' ' ' SER . 8.3 tpt180 -106.5 116.24 59.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 5.21 110.289 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -21.67 15.64 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 2.7599999999999998 111.031 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -169.88 159.92 8.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 5.2199999999999998 109.329 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 10.3 p -81.45 127.32 32.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 2.4300000000000002 110.411 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 317' ' ' SER . . . . . 0.408 ' HB2' ' NH2' ' A' ' 313' ' ' ARG . 0.5 OUTLIER -89.5 98.95 12.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 3.1200000000000001 109.997 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 74.3 t -91.25 122.78 43.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 3.79 109.309 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 306' ' ' PHE . 2.9 m120 -142.05 179.55 6.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 2.29 109.331 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . 0.426 ' CD1' ' O ' ' A' ' 304' ' ' ARG . 12.4 tp -98.83 152.78 19.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 3.3100000000000001 109.316 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 321' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 324' ' ' LEU . 0.7 OUTLIER -66.24 -65.83 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.426 1.079 . . . . 2.5099999999999998 109.327 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.9 -49.58 2.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 2.5600000000000001 109.962 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 1.1 m -41.27 -37.54 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 2.5499999999999998 109.988 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 321' ' ' ILE . 1.4 mt -102.24 -83.18 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 3.25 109.322 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -51.24 152.62 4.04 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 2.4500000000000002 108.004 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 326' ' ' PRO . . . . . 0.465 ' HG2' ' CG ' ' A' ' 360' ' ' PRO . 18.5 Cg_endo -74.98 -82.32 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.458 1.767 . . . . 1.1599999999999999 111.035 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 327' ' ' THR . . . . . . . . . . . . . 2.2 t -126.4 98.73 5.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 2.8799999999999999 110.367 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . 0.43 ' CD1' ' HD2' ' A' ' 329' ' ' PRO . 0.6 OUTLIER -115.41 162.15 26.26 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 2.3199999999999998 109.311 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 329' ' ' PRO . . . . . 0.43 ' HD2' ' CD1' ' A' ' 328' ' ' LEU . 18.3 Cg_endo -74.98 -3.01 13.29 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.507 1.793 . . . . 3.5699999999999998 111.03 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 330' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 331' ' ' GLY . 0.8 OUTLIER 50.19 -155.23 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 3.1499999999999999 109.993 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 330' ' ' SER . . . 32.15 41.07 0.08 OUTLIER Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.55 1.156 . . . . 2.02 110.984 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.45 HG23 ' CB ' ' A' ' 290' ' ' ALA . 2.1 mp -50.67 124.05 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.58 0.812 . . . . 3.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.09 -41.61 9.86 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.593 1.183 . . . . 2.9300000000000002 110.308 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -150.28 136.87 19.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 2.2000000000000002 109.313 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -127.35 133.75 50.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 2.23 109.344 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 336' ' ' TYR . . . . . 0.542 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 7.3 p90 -151.36 123.43 8.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 4.5199999999999996 111.007 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -117.99 154.44 31.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 3.7999999999999998 110.291 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . 0.555 HG13 ' CD2' ' A' ' 385' ' ' PHE . 27.2 mm -126.64 98.34 4.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 4.6699999999999999 109.288 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -46.47 -28.27 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 4.21 110.328 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -61.09 -40.72 94.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 2.6400000000000001 109.312 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.66 -10.38 37.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 3.9500000000000002 110.3 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 2.1 t30 53.39 42.49 32.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 2.4100000000000001 109.304 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -134.88 178.52 6.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 2.71 110.276 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 344' ' ' VAL . . . . . 0.484 ' CG2' HG22 ' A' ' 355' ' ' ILE . 15.3 m -142.94 167.59 14.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 4.2800000000000002 109.282 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 345' ' ' PHE . . . . . 0.405 ' HB2' ' CE1' ' A' ' 336' ' ' TYR . 77.9 m-85 -152.36 138.59 18.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 4.5800000000000001 111.011 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -124.14 122.13 37.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 2.8999999999999999 109.397 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -95.84 143.74 26.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 4.4000000000000004 111.029 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 348' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 351' ' ' LYS . 45.7 tptt -165.04 114.46 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 4.3499999999999996 109.267 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.5 t70 58.81 -150.63 0.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 3.2799999999999998 109.258 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 350' ' ' ASP . . . . . 0.446 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 1.4 p-10 -87.65 40.56 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 2.8100000000000001 109.306 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 4.2 mtmp? -156.57 148.54 22.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 3.3300000000000001 109.287 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 352' ' ' TYR . . . . . 0.53 ' CE1' ' HB3' ' A' ' 366' ' ' LYS . 32.5 p90 -145.42 132.19 20.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 3.6499999999999999 111.003 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 353' ' ' TRP . . . . . 0.517 ' CZ3' ' O ' ' A' ' 361' ' ' GLU . 11.1 m95 -89.87 174.0 7.93 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.99 -1.115 . . . . 7.8200000000000003 107.99 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 354' ' ' LEU . . . . . . . . . . . . . 1.7 tp -135.41 114.58 12.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 2.6299999999999999 109.326 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . 0.484 HG22 ' CG2' ' A' ' 344' ' ' VAL . 1.9 mp -104.3 118.16 51.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 2.4399999999999999 109.32 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 356' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 358' ' ' LEU . 90.7 p -101.55 101.39 11.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 2.7200000000000002 110.005 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 69.49 -62.38 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.08 . . . . 4.8799999999999999 109.337 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 356' ' ' SER . 1.8 tp -172.11 73.32 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 5.7000000000000002 109.282 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 175.16 106.54 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 5.21 110.31 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 360' ' ' PRO . . . . . 0.465 ' CG ' ' HG2' ' A' ' 326' ' ' PRO . 18.0 Cg_endo -75.06 117.78 5.02 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.502 1.791 . . . . 1.8999999999999999 110.98 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 361' ' ' GLU . . . . . 0.517 ' O ' ' CZ3' ' A' ' 353' ' ' TRP . 3.5 mm-40 -40.62 123.94 1.85 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 2.1800000000000002 110.3 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 129.46 12.36 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.594 1.839 . . . . 2.1800000000000002 111.004 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 363' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 61.02 62.81 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 3.6899999999999999 109.261 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 364' ' ' TYR . . . . . 0.577 ' CD1' ' HE3' ' A' ' 366' ' ' LYS . 0.5 OUTLIER -136.08 55.56 12.25 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 3.3599999999999999 111.002 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . 0.565 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -74.94 51.72 2.84 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 1.3600000000000001 111.001 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 366' ' ' LYS . . . . . 0.577 ' HE3' ' CD1' ' A' ' 364' ' ' TYR . 0.1 OUTLIER -54.79 156.96 3.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 2.6699999999999999 109.302 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 367' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 370' ' ' SER . 0.7 OUTLIER -119.95 118.41 30.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 2.8199999999999998 110.016 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . 0.479 HG21 ' CD1' ' A' ' 352' ' ' TYR . 1.2 pt -51.25 -37.99 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 2.6299999999999999 109.324 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 369' ' ' HIS . . . . . 0.554 ' C ' ' CD2' ' A' ' 369' ' ' HIS . 0.1 OUTLIER -62.68 -15.13 51.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 5.8700000000000001 109.584 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 370' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 367' ' ' SER . 17.7 t -64.54 -10.46 26.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 2.8100000000000001 109.982 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 371' ' ' PHE . . . . . 0.525 ' CD2' ' O ' ' A' ' 371' ' ' PHE . 5.0 p90 -152.03 29.53 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 9.3300000000000001 111.012 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 372' ' ' GLY . . . . . 0.526 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -142.44 -49.11 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.136 . . . . 3.5899999999999999 110.967 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 373' ' ' PHE . . . . . 0.643 ' O ' ' CD2' ' A' ' 373' ' ' PHE . 17.6 p90 27.33 59.27 0.56 Allowed Pre-proline 0 C--N 1.323 -0.557 0 O-C-N 124.474 0.749 . . . . 11.44 110.973 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 374' ' ' PRO . . . . . 0.539 ' HB2' ' CZ2' ' A' ' 401' ' ' TRP . 18.5 Cg_endo -74.97 -4.61 15.66 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.526 1.803 . . . . 3.6000000000000001 111.039 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 64.18 30.57 13.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 6.3099999999999996 109.248 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 2.6 t80 178.61 50.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 7.1500000000000004 111.027 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 377' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -104.23 161.18 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 4.0999999999999996 109.299 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.54 -39.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 4.5800000000000001 109.326 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -162.7 136.54 6.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 4.4699999999999998 109.292 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 6.4 mt -93.73 149.46 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 2.0699999999999998 109.274 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 381' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 429' ' ' ILE . 0.8 OUTLIER -89.12 -50.78 5.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 2.1800000000000002 109.336 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 382' ' ' ALA . . . . . 0.407 ' CB ' HG13 ' A' ' 432' ' ' VAL . . . -155.4 166.39 33.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.588 1.18 . . . . 2.2400000000000002 109.223 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -156.67 120.98 4.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.5800000000000001 109.302 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 2.1 t -128.24 145.39 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 3.5 109.236 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 385' ' ' PHE . . . . . 0.555 ' CD2' HG13 ' A' ' 338' ' ' ILE . 0.1 OUTLIER -104.4 127.97 52.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 6.5099999999999998 111.029 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -115.0 104.72 53.81 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 2.8799999999999999 109.321 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -12.06 21.36 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.465 1.771 . . . . 3.2000000000000002 111.016 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.22 -30.61 34.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 3.6400000000000001 110.289 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -117.36 14.03 14.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 4.7800000000000002 111.011 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 390' ' ' TYR . . . . . 0.52 ' O ' ' CB ' ' A' ' 405' ' ' GLU . 28.1 m-85 38.84 45.97 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 3.7200000000000002 110.978 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 391' ' ' ARG . . . . . 0.502 ' CG ' ' N ' ' A' ' 392' ' ' THR . 17.8 ttt-85 -149.16 159.06 44.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 10.130000000000001 110.307 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 392' ' ' THR . . . . . 0.502 ' N ' ' CG ' ' A' ' 391' ' ' ARG . 7.1 m -119.55 129.72 54.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 1.8899999999999999 110.393 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . 0.447 ' HB3' ' CE1' ' A' ' 395' ' ' PHE . 70.9 m-85 -79.28 100.56 7.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 2.4399999999999999 110.999 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -91.21 101.33 14.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 3.5800000000000001 111.01 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . 0.447 ' CE1' ' HB3' ' A' ' 393' ' ' TYR . 94.3 m-85 -90.1 117.73 29.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 1.8700000000000001 110.985 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 396' ' ' VAL . . . . . 0.563 HG21 ' CE3' ' A' ' 401' ' ' TRP . 51.0 t -137.16 128.84 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 3.0099999999999998 109.244 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 56.15 -149.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 3.1499999999999999 109.346 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -88.2 40.0 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 2.9399999999999999 109.327 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 399' ' ' GLN . . . . . 0.501 ' OE1' ' CB ' ' A' ' 415' ' ' PRO . 54.9 mt-30 -150.23 176.65 10.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 2.8199999999999998 110.297 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 400' ' ' TYR . . . . . 0.614 ' O ' ' CD1' ' A' ' 400' ' ' TYR . 16.5 p90 -136.27 129.13 31.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 7.1500000000000004 110.997 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' TRP . . . . . 0.563 ' CE3' HG21 ' A' ' 396' ' ' VAL . 15.8 m0 -91.64 170.38 9.97 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.04 -1.096 . . . . 7.0300000000000002 108.04 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.05 99.58 3.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 5.0199999999999996 110.294 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 403' ' ' TYR . . . . . 0.428 ' O ' ' CG ' ' A' ' 403' ' ' TYR . 14.1 t80 -102.27 85.17 2.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 6.3799999999999999 111.069 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -49.84 136.95 17.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 2.7799999999999998 109.359 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 390' ' ' TYR . 0.5 OUTLIER -101.67 -40.69 6.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 4.0099999999999998 110.329 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . 0.459 ' HB3' ' CB ' ' A' ' 390' ' ' TYR . 1.7 ppt_? -56.75 -36.25 69.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 9.7100000000000009 110.305 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 407' ' ' ARG . . . . . 0.462 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.0 OUTLIER -100.08 -38.47 8.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 3.6200000000000001 110.271 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . 0.462 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 2.9 tt0 83.5 22.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 2.9100000000000001 110.31 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.84 124.09 44.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 3.6499999999999999 110.959 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.86 138.29 36.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 4.0700000000000003 111.007 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.86 138.69 78.3 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 3.54 109.264 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 111.59 3.36 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.476 1.777 . . . . 3.27 111.015 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 40.14 93.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 3.3199999999999998 111.078 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 414' ' ' TYR . . . . . 0.431 ' CE1' ' HG3' ' A' ' 416' ' ' LYS . 1.6 t80 -132.81 62.16 60.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 5.4699999999999998 111.034 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 415' ' ' PRO . . . . . 0.501 ' CB ' ' OE1' ' A' ' 399' ' ' GLN . 18.4 Cg_endo -74.97 85.8 1.48 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.481 1.779 . . . . 3.6600000000000001 110.994 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . 0.576 ' HB2' ' CE2' ' A' ' 400' ' ' TYR . 41.4 mmtt -101.14 -170.91 1.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 5.3300000000000001 109.353 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.11 138.94 51.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 3.3500000000000001 109.253 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . 0.403 ' C ' ' N ' ' A' ' 420' ' ' LYS . 5.0 mt -69.16 -67.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 2.0699999999999998 109.327 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 419' ' ' THR . . . . . 0.409 ' HB ' ' N ' ' A' ' 427' ' ' PRO . 5.3 t -39.64 -31.56 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.414 1.071 . . . . 2.2799999999999998 110.34 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 418' ' ' ILE . 10.6 mttt -69.58 -60.04 2.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 4.2400000000000002 109.279 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -58.07 -48.84 78.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 3.6000000000000001 109.334 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 422' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -120.92 103.36 9.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.524 1.14 . . . . 3.5600000000000001 111.018 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.38 99.26 12.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.177 . . . . 2.4700000000000002 110.343 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 163.82 -38.34 0.32 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 1.55 111.015 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 425' ' ' ILE . . . . . 0.439 HG22 ' CZ ' ' A' ' 442' ' ' PHE . 6.7 pt -82.83 -54.0 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.408 0.711 . . . . 3.6099999999999999 109.291 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 128.65 168.05 12.32 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.12 . . . . 1.3999999999999999 111.02 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . 0.409 ' N ' ' HB ' ' A' ' 419' ' ' THR . 18.5 Cg_endo -74.98 -10.16 21.12 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.533 1.807 . . . . 1.53 111.05 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -125.43 133.74 52.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 4.0199999999999996 109.245 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 429' ' ' ILE . . . . . 0.458 ' CD1' ' CD2' ' A' ' 442' ' ' PHE . 6.1 mm -138.34 119.04 16.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.523 1.14 . . . . 3.6699999999999999 109.292 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.28 -49.91 73.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.433 1.083 . . . . 2.8399999999999999 109.317 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . 0.457 ' CB ' HG23 ' A' ' 291' ' ' VAL . . . -169.57 158.31 7.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 2.5800000000000001 109.288 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.407 HG13 ' CB ' ' A' ' 382' ' ' ALA . 3.8 p -159.02 153.69 5.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 3.3100000000000001 109.318 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 433' ' ' PHE . . . . . 0.456 ' CE1' ' HB2' ' A' ' 441' ' ' TYR . 7.9 p90 -153.27 174.6 14.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 4.3499999999999996 111.04 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -103.42 134.96 45.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 5.6399999999999997 110.988 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 435' ' ' SER . . . . . 0.431 ' O ' ' CB ' ' A' ' 436' ' ' LYS . 4.9 p -156.06 148.69 23.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 3.2200000000000002 110.0 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 436' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 435' ' ' SER . 0.6 OUTLIER 82.78 -128.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 5.6799999999999997 109.326 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -102.98 -49.43 3.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 6.0800000000000001 109.28 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.87 34.3 0.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 5.1799999999999997 109.336 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 439' ' ' TYR . . . . . 0.401 ' CD2' ' OD1' ' A' ' 452' ' ' ASP . 56.0 m-85 -100.26 132.16 45.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.599 1.187 . . . . 5.0499999999999998 111.04 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -110.78 113.62 26.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.475 1.109 . . . . 4.6299999999999999 110.969 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 441' ' ' TYR . . . . . 0.456 ' HB2' ' CE1' ' A' ' 433' ' ' PHE . 8.7 m-85 -102.14 85.51 2.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 4.1200000000000001 110.964 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . 0.502 ' CZ ' ' CB ' ' A' ' 449' ' ' PHE . 40.4 p90 -104.15 165.41 11.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 7.2199999999999998 110.975 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 443' ' ' PHE . . . . . 0.554 ' CE2' ' CG ' ' A' ' 448' ' ' GLN . 39.1 m-85 -127.64 121.64 31.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 5.8200000000000003 110.962 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -113.61 78.47 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 4.3499999999999996 110.297 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 88.44 -130.84 10.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.115 . . . . 2.29 110.982 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 10.8 p -95.42 36.51 1.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.769 . . . . 2.7799999999999998 109.965 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 447' ' ' ASN . . . . . 0.447 ' ND2' ' N ' ' A' ' 447' ' ' ASN . 0.1 OUTLIER -143.78 136.48 27.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.135 . . . . 2.6299999999999999 109.259 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 448' ' ' GLN . . . . . 0.554 ' CG ' ' CE2' ' A' ' 443' ' ' PHE . 0.8 OUTLIER -105.87 95.0 5.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 3.7000000000000002 110.308 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 449' ' ' PHE . . . . . 0.633 ' CE2' ' CG2' ' A' ' 461' ' ' THR . 38.0 m-85 -95.39 143.51 26.68 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.436 1.085 . . . . 3.4500000000000002 111.029 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -120.1 123.62 43.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.543 1.152 . . . . 4.3200000000000003 110.259 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -100.9 160.12 14.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 3.96 111.033 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 452' ' ' ASP . . . . . 0.401 ' OD1' ' CD2' ' A' ' 439' ' ' TYR . 43.2 m-20 -152.5 155.01 36.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 4.7999999999999998 109.275 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . 0.542 ' O ' ' CD1' ' A' ' 453' ' ' PHE . 39.0 t80 -83.71 -0.69 51.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 5.5899999999999999 110.959 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 40.2 tp -43.65 -55.34 4.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.395 1.06 . . . . 4.3399999999999999 109.296 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -148.74 22.06 1.01 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.089 . . . . 3.96 109.224 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 63.26 42.56 6.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 3.98 110.239 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -143.92 158.55 43.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 5.6600000000000001 110.319 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 3.6 mt -79.49 142.92 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 3.3500000000000001 109.326 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 41.9 p -96.61 -54.43 3.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 4.4699999999999998 110.386 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.62 154.3 26.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 5.29 109.267 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 461' ' ' THR . . . . . 0.633 ' CG2' ' CE2' ' A' ' 449' ' ' PHE . 2.3 m -153.46 95.35 1.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 3.2000000000000002 110.391 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -118.29 179.43 4.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 3.4199999999999999 109.25 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -93.89 166.23 12.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 4.1600000000000001 109.33 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 98.5 p -64.14 -51.29 64.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 3.2799999999999998 110.031 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 470' ' ' CYS . 75.0 m-20 -90.74 50.11 1.76 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 3.6400000000000001 109.264 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 44.1 t -116.77 -4.17 11.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 4.6200000000000001 109.977 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -113.92 -59.5 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 6.1100000000000003 108.064 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 468' ' ' PHE . . . . . 0.568 ' CD1' ' HB2' ' A' ' 470' ' ' CYS . 0.3 OUTLIER -38.55 -35.75 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.572 1.17 . . . . 8.4800000000000004 111.031 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 111.89 39.73 1.26 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.54 1.15 . . . . 3.1200000000000001 111.04 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 470' ' ' CYS . . . . . 0.568 ' HB2' ' CD1' ' A' ' 468' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 N-CA-C 108.274 -1.01 . . . . 5.0599999999999996 108.274 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 471' ' ' ' CA' . . . . . 0.98 'CA ' ' O ' ' A' ' 289' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 281' ' ' LEU . . . . . 0.807 HD13 ' CE2' ' A' ' 468' ' ' PHE . 1.3 mt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.262 -0.644 . . . . 3.76 109.262 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 282' ' ' CYS . . . . . 1.283 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 83.3 m -84.16 52.75 2.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 3.77 108.252 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -179.04 119.54 0.23 Allowed Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 4.66 109.316 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 91.39 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.5 1.789 . . . . 2.63 111.0 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 177.68 42.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 3.77 109.321 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 286' ' ' LEU . . . . . 0.575 ' C ' HD23 ' A' ' 286' ' ' LEU . 1.0 OUTLIER -112.17 151.44 29.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 3.3 109.355 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 22.7 p -145.28 160.14 41.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 1.75 110.046 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 288' ' ' PHE . . . . . 0.426 ' CZ ' HD21 ' A' ' 286' ' ' LEU . 20.0 m-85 -122.72 176.25 6.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 2.07 110.984 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.27 -56.1 2.18 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.495 1.122 . . . . 2.29 109.307 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -146.08 159.43 43.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.81 109.278 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 291' ' ' VAL . . . . . . . . . . . . . 87.0 t -150.3 136.98 12.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 2.2 109.302 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 292' ' ' THR . . . . . 0.525 ' HB ' ' HB1' ' A' ' 335' ' ' ALA . 11.4 t -127.63 179.04 5.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.35 110.339 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 12.2 p -140.37 141.48 35.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 2.84 110.421 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 59.4 t -136.05 124.67 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 1.84 109.253 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 56.13 -93.2 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.528 1.143 . . . . 2.14 111.041 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 -139.03 28.85 2.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.444 0.732 . . . . 3.88 109.312 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.532 ' HA ' HG21 ' A' ' 310' ' ' VAL . 20.8 mtmt -124.43 154.71 40.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 2.35 109.303 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 298' ' ' ILE . . . . . 0.732 ' H ' HG11 ' A' ' 310' ' ' VAL . 6.6 pt -122.97 121.69 63.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 2.01 109.24 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 299' ' ' PHE . . . . . 0.616 ' CE2' HD21 ' A' ' 308' ' ' LEU . 16.1 m-85 -110.54 134.52 52.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 2.8 111.029 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 300' ' ' PHE . . . . . 0.586 ' CZ ' HD12 ' A' ' 298' ' ' ILE . 65.5 m-85 -111.88 134.69 53.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 2.52 111.019 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 301' ' ' PHE . . . . . 0.633 ' CE2' HD13 ' A' ' 332' ' ' ILE . 9.7 m-85 -99.13 138.11 36.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.174 . . . . 2.35 110.956 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 302' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 305' ' ' PHE . 0.6 OUTLIER -135.87 94.53 3.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 2.87 109.275 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 55.69 -91.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 3.62 109.299 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 304' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 302' ' ' LYS . 0.0 OUTLIER -116.27 -18.51 10.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 5.07 110.308 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 305' ' ' PHE . . . . . 0.45 ' O ' ' N ' ' A' ' 302' ' ' LYS . 96.7 m-85 -100.07 148.31 24.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 2.71 111.003 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 306' ' ' PHE . . . . . 0.53 ' CD1' ' C ' ' A' ' 306' ' ' PHE . 3.7 p90 -116.26 158.58 23.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 1.84 110.981 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 307' ' ' TRP . . . . . 0.538 ' CZ3' HD11 ' A' ' 286' ' ' LEU . 0.0 OUTLIER -110.54 162.9 14.25 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.979 -1.119 . . . . 4.41 107.979 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 308' ' ' LEU . . . . . 0.616 HD21 ' CE2' ' A' ' 299' ' ' PHE . 0.2 OUTLIER -154.87 116.92 4.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 1.65 109.294 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 309' ' ' LYS . . . . . 0.446 ' CB ' HG22 ' A' ' 316' ' ' THR . 0.0 OUTLIER -168.25 89.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 2.58 109.246 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 310' ' ' VAL . . . . . 0.732 HG11 ' H ' ' A' ' 298' ' ' ILE . 4.2 p -160.54 167.27 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 2.17 109.288 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 311' ' ' SER . . . . . 0.533 ' N ' HG22 ' A' ' 310' ' ' VAL . 28.6 t 64.31 -85.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.384 1.053 . . . . 3.82 110.039 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -131.71 71.17 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 4.6 110.31 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 313' ' ' ARG . . . . . 0.403 ' CB ' ' HA ' ' A' ' 309' ' ' LYS . 1.7 mpt_? -139.68 106.11 6.98 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 4.38 110.295 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -24.63 12.48 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.485 1.781 . . . . 2.81 111.03 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.08 158.42 44.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 4.83 109.265 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 316' ' ' THR . . . . . 0.446 HG22 ' CB ' ' A' ' 309' ' ' LYS . 7.8 p -93.98 167.3 11.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 1.24 110.461 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 74.3 m -140.98 126.0 18.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 2.43 109.959 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 98.4 t -93.94 106.46 18.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 2.38 109.324 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 319' ' ' ASN . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 306' ' ' PHE . 1.4 m120 -121.84 166.87 13.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 1.98 109.26 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.11 144.6 28.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 2.01 109.315 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 321' ' ' ILE . . . . . 0.403 ' C ' ' N ' ' A' ' 323' ' ' SER . 33.0 mt -69.22 -66.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 1.13 109.298 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 49.0 m -41.3 -28.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 2.17 109.972 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 323' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 321' ' ' ILE . 0.6 OUTLIER -48.71 -39.36 24.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 2.58 110.031 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.08 -74.0 0.67 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 1.88 109.281 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 325' ' ' TRP . . . . . 0.402 ' HB3' ' CB ' ' A' ' 328' ' ' LEU . 0.0 OUTLIER -56.86 112.19 4.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 1.77 108.029 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -83.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.599 1.842 . . . . 1.57 111.061 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 327' ' ' THR . . . . . 0.63 ' O ' HG22 ' A' ' 327' ' ' THR . 2.9 m -70.12 61.67 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 3.11 110.349 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 328' ' ' LEU . . . . . 0.87 HD13 ' HD2' ' A' ' 329' ' ' PRO . 0.3 OUTLIER -141.44 130.38 12.44 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 2.45 109.284 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 329' ' ' PRO . . . . . 0.87 ' HD2' HD13 ' A' ' 328' ' ' LEU . 18.4 Cg_endo -74.95 172.12 16.98 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.521 1.801 . . . . 2.02 111.077 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.02 150.2 32.3 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.543 1.152 . . . . 2.36 110.054 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 85.5 42.48 6.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 1.45 110.97 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.633 HD13 ' CE2' ' A' ' 301' ' ' PHE . 10.6 mt -49.83 137.57 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.489 0.758 . . . . 1.63 109.295 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.14 -52.1 5.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 3.71 110.365 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -143.76 129.02 18.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.78 109.314 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 335' ' ' ALA . . . . . 0.525 ' HB1' ' HB ' ' A' ' 292' ' ' THR . . . -117.31 126.11 52.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.85 109.277 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 336' ' ' TYR . . . . . 0.517 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 10.5 p90 -151.75 126.54 9.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 3.3 110.979 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -89.37 175.16 7.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 5.14 110.293 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 338' ' ' ILE . . . . . 0.569 ' O ' HG23 ' A' ' 338' ' ' ILE . 0.5 OUTLIER -133.15 96.31 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 3.19 109.284 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -70.75 75.83 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.588 1.18 . . . . 3.74 110.29 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -155.58 -58.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 1.75 109.313 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -109.24 8.02 25.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 5.73 110.324 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 47.0 t30 59.4 66.35 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 2.11 109.253 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 343' ' ' GLN . . . . . 0.419 ' CG ' ' O ' ' A' ' 355' ' ' ILE . 0.0 OUTLIER -128.81 179.73 5.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 2.42 110.253 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 344' ' ' VAL . . . . . 0.462 ' HB ' ' CG2' ' A' ' 355' ' ' ILE . 3.2 t -149.71 150.71 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.39 109.316 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 345' ' ' PHE . . . . . 0.517 ' C ' HD22 ' A' ' 346' ' ' LEU . 35.4 m-85 -134.21 133.32 40.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 2.55 111.011 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.517 HD22 ' C ' ' A' ' 345' ' ' PHE . 3.8 mm? -123.72 119.86 31.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 1.4 109.277 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -96.1 140.17 31.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 2.7 110.97 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 348' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.82 119.32 2.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 3.09 109.304 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 4.7 t0 57.23 -150.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 3.44 109.36 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 350' ' ' ASP . . . . . 0.553 ' OD1' HD11 ' A' ' 368' ' ' ILE . 2.0 t0 -87.91 42.17 1.04 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 3.22 109.294 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.482 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 34.8 mtmt -155.99 154.79 31.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 1.74 109.253 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 352' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 366' ' ' LYS . 39.9 p90 -142.12 147.13 36.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 2.74 110.995 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 353' ' ' TRP . . . . . 0.558 ' CZ3' ' HG3' ' A' ' 329' ' ' PRO . 3.3 m-90 -104.63 163.39 12.52 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.001 -1.111 . . . . 3.98 108.001 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 354' ' ' LEU . . . . . 0.49 HD23 ' HG3' ' A' ' 361' ' ' GLU . 0.3 OUTLIER -125.68 103.96 8.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 2.75 109.298 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.539 ' CD1' ' N ' ' A' ' 355' ' ' ILE . 1.2 mp -72.88 122.86 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 1.69 109.28 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 42.2 t -132.62 118.76 19.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 1.46 110.054 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 60.06 47.59 9.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.531 1.144 . . . . 3.49 109.258 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 56.59 43.24 25.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 4.65 109.317 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -162.73 120.19 1.28 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 5.45 110.324 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 360' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 361' ' ' GLU . 18.3 Cg_endo -74.94 117.8 5.05 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.553 1.818 . . . . 1.99 111.031 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 361' ' ' GLU . . . . . 0.49 ' HG3' HD23 ' A' ' 354' ' ' LEU . 5.0 mm-40 -36.41 124.74 0.74 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 2.85 110.298 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 136.5 20.59 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.57 1.826 . . . . 2.66 111.0 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 363' ' ' ASN . . . . . 0.438 ' C ' ' HD3' ' A' ' 365' ' ' PRO . 3.1 t-20 63.45 61.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 3.45 109.242 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 364' ' ' TYR . . . . . 0.524 ' N ' ' HD3' ' A' ' 365' ' ' PRO . 0.2 OUTLIER -132.34 57.9 32.71 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 3.61 111.049 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 365' ' ' PRO . . . . . 0.524 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.4 Cg_endo -74.94 53.06 3.2 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.599 1.841 . . . . 1.31 110.986 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 366' ' ' LYS . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 352' ' ' TYR . 0.0 OUTLIER -65.83 160.85 22.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 3.05 109.333 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 29.3 t -135.5 130.92 35.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 2.31 110.0 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 368' ' ' ILE . . . . . 0.553 HD11 ' OD1' ' A' ' 350' ' ' ASP . 3.2 pt -41.87 -42.82 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 1.78 109.245 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 369' ' ' HIS . . . . . 0.4 ' C ' ' N ' ' A' ' 371' ' ' PHE . 23.7 t60 -40.25 -29.82 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 3.8 109.608 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 370' ' ' SER . . . . . 0.56 ' O ' ' CG ' ' A' ' 371' ' ' PHE . 50.6 m -47.85 -23.36 0.73 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.443 1.09 . . . . 2.77 109.995 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 371' ' ' PHE . . . . . 0.56 ' CG ' ' O ' ' A' ' 370' ' ' SER . 0.3 OUTLIER 164.68 71.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 6.79 110.979 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 372' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 374' ' ' PRO . . . -174.35 -66.26 0.05 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.533 1.146 . . . . 3.03 110.977 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 373' ' ' PHE . . . . . 0.653 ' HA ' HG12 ' A' ' 377' ' ' VAL . 59.8 t80 -34.23 96.3 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.423 0.72 . . . . 5.63 111.03 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 374' ' ' PRO . . . . . 0.544 ' HG2' ' CH2' ' A' ' 401' ' ' TRP . 18.2 Cg_endo -75.06 -76.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.506 1.793 . . . . 2.29 110.964 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -96.8 -78.8 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 4.9 109.278 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 376' ' ' PHE . . . . . 0.558 ' HA ' ' CZ ' ' A' ' 373' ' ' PHE . 14.2 m-85 -144.7 58.33 1.31 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 6.55 110.996 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 377' ' ' VAL . . . . . 0.653 HG12 ' HA ' ' A' ' 373' ' ' PHE . 0.8 OUTLIER -88.96 162.28 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 2.01 109.298 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.75 -38.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.601 1.188 . . . . 3.5 109.325 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -118.08 116.01 26.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 2.6 109.26 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 380' ' ' ILE . . . . . 0.443 ' CG2' ' N ' ' A' ' 381' ' ' ASP . 83.0 mt -101.76 163.01 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 1.44 109.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 381' ' ' ASP . . . . . 0.443 ' N ' ' CG2' ' A' ' 380' ' ' ILE . 0.7 OUTLIER -92.45 -51.81 4.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 1.86 109.254 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 382' ' ' ALA . . . . . 1.026 ' HB1' HG12 ' A' ' 432' ' ' VAL . . . -159.85 168.09 26.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.62 1.2 . . . . 0.62 109.263 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -156.92 130.32 8.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.79 109.295 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 384' ' ' VAL . . . . . 0.426 HG13 ' CE2' ' A' ' 393' ' ' TYR . 4.0 p -136.29 158.89 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 2.08 109.31 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 385' ' ' PHE . . . . . 0.457 ' C ' ' CD1' ' A' ' 385' ' ' PHE . 2.1 t80 -118.67 127.92 54.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 1.97 110.968 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 386' ' ' ASN . . . . . 0.44 ' HB3' ' CB ' ' A' ' 389' ' ' PHE . 0.2 OUTLIER -91.63 122.63 65.39 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 2.14 109.269 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -30.21 7.39 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.503 1.791 . . . . 1.62 111.018 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 1.8 tpt85 -91.7 28.36 1.79 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 3.28 110.28 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 389' ' ' PHE . . . . . 0.557 ' C ' ' CG ' ' A' ' 390' ' ' TYR . 0.8 OUTLIER -151.3 -38.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 3.39 111.026 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 390' ' ' TYR . . . . . 0.557 ' CG ' ' C ' ' A' ' 389' ' ' PHE . 4.4 m-85 74.08 31.93 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 2.7 110.972 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 391' ' ' ARG . . . . . 0.409 ' HD2' ' CD ' ' A' ' 402' ' ' ARG . 18.1 mtt180 -136.88 146.75 45.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 3.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 392' ' ' THR . . . . . 0.525 HG22 ' HE1' ' A' ' 394' ' ' PHE . 27.1 m -117.99 126.7 52.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 1.15 110.397 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 393' ' ' TYR . . . . . 0.458 ' C ' ' CD1' ' A' ' 394' ' ' PHE . 1.0 OUTLIER -119.96 157.14 29.43 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.533 1.145 . . . . 3.8 110.963 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 394' ' ' PHE . . . . . 0.525 ' HE1' HG22 ' A' ' 392' ' ' THR . 1.0 OUTLIER -134.19 170.01 16.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 2.31 111.01 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -120.01 129.71 54.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 1.81 111.03 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 396' ' ' VAL . . . . . 0.418 ' O ' ' CB ' ' A' ' 397' ' ' ASP . 10.2 t -114.62 74.2 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 1.92 109.318 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 397' ' ' ASP . . . . . 0.418 ' CB ' ' O ' ' A' ' 396' ' ' VAL . 0.8 OUTLIER 75.96 -65.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 4.99 109.289 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 398' ' ' ASN . . . . . 0.413 HD21 HD11 ' A' ' 417' ' ' LEU . 28.7 t-20 -151.43 50.78 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 3.42 109.331 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -140.5 148.47 41.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 2.32 110.339 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 400' ' ' TYR . . . . . 0.45 ' C ' ' CD1' ' A' ' 400' ' ' TYR . 1.1 t80 -119.3 101.36 7.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 2.59 111.014 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 401' ' ' TRP . . . . . 0.544 ' CH2' ' HG2' ' A' ' 374' ' ' PRO . 46.8 m0 -98.64 164.67 12.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 4.66 108.025 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 402' ' ' ARG . . . . . 0.409 ' CD ' ' HD2' ' A' ' 391' ' ' ARG . 0.0 OUTLIER -153.59 111.83 3.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 3.0 110.253 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 403' ' ' TYR . . . . . 0.48 ' CD2' ' HB3' ' A' ' 410' ' ' MET . 4.4 t80 -100.19 121.28 41.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 5.2 110.977 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.78 124.97 24.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 2.14 109.304 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -89.24 -47.42 8.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 3.08 110.334 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -55.0 35.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 6.07 110.264 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 407' ' ' ARG . . . . . 0.451 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.0 OUTLIER -67.7 -41.92 82.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 3.23 110.26 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 408' ' ' GLN . . . . . 0.451 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 0.0 OUTLIER 83.09 29.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 3.2 110.297 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 3.1 tpt -135.95 109.03 7.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 2.19 111.034 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 410' ' ' MET . . . . . 0.48 ' HB3' ' CD2' ' A' ' 403' ' ' TYR . 0.0 OUTLIER -64.21 146.04 54.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 2.03 111.012 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.64 160.55 72.21 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 2.58 109.28 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 85.62 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.544 1.812 . . . . 2.86 110.923 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 72.47 -73.13 0.95 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.448 1.092 . . . . 4.84 111.049 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 414' ' ' TYR . . . . . 0.532 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 2.7 t80 61.16 63.45 2.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 1.96 110.994 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 415' ' ' PRO . . . . . 0.409 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.5 Cg_endo -74.94 66.84 5.96 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.529 1.805 . . . . 1.66 111.067 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 416' ' ' LYS . . . . . 0.532 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 24.9 mmtt -86.22 -176.35 5.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 2.41 109.309 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 417' ' ' LEU . . . . . 0.539 HD12 HG22 ' A' ' 419' ' ' THR . 0.4 OUTLIER -126.76 136.23 52.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 2.83 109.266 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 418' ' ' ILE . . . . . 0.792 HG22 HD11 ' A' ' 425' ' ' ILE . 3.8 mt -69.49 -71.35 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 1.31 109.294 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 419' ' ' THR . . . . . 0.539 HG22 HD12 ' A' ' 417' ' ' LEU . 15.0 t -38.07 -29.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.1 110.395 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 420' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 418' ' ' ILE . 26.1 mttt -69.22 -69.47 0.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 1.57 109.263 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -48.29 -51.0 27.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 2.62 109.239 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 422' ' ' PHE . . . . . 0.486 ' CE2' ' CD1' ' A' ' 451' ' ' TYR . 2.6 m-85 -119.16 102.54 8.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.45 1.094 . . . . 3.35 110.982 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -89.92 112.92 24.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 2.17 110.34 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 150.49 -31.06 1.04 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.574 1.172 . . . . 1.39 110.958 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 425' ' ' ILE . . . . . 0.792 HD11 HG22 ' A' ' 418' ' ' ILE . 8.4 pt -82.64 -55.57 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 2.09 109.241 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 426' ' ' GLY . . . . . 0.436 ' N ' ' CG1' ' A' ' 425' ' ' ILE . . . 132.37 167.46 11.8 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.548 1.155 . . . . 1.01 111.0 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 427' ' ' PRO . . . . . 0.405 ' CA ' ' HB ' ' A' ' 419' ' ' THR . 18.2 Cg_endo -74.98 -16.65 20.14 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.454 1.765 . . . . 1.27 110.977 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.807 ' C ' HD12 ' A' ' 429' ' ' ILE . 0.0 OUTLIER -121.53 131.15 53.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 4.86 109.286 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 429' ' ' ILE . . . . . 0.807 HD12 ' C ' ' A' ' 428' ' ' LYS . 1.9 mp -130.86 125.39 58.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 2.93 109.307 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.65 -86.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 2.06 109.297 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -106.97 150.64 26.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 1.01 109.333 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 1.026 HG12 ' HB1' ' A' ' 382' ' ' ALA . 4.1 p -146.99 126.33 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 1.87 109.357 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 433' ' ' PHE . . . . . 0.461 ' CD1' ' N ' ' A' ' 433' ' ' PHE . 5.8 p90 -147.71 146.53 29.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 3.32 110.971 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.27 92.01 7.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 4.32 110.966 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 94.2 p -123.19 91.3 3.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 2.77 110.009 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 436' ' ' LYS . . . . . 0.408 ' CB ' ' HB2' ' A' ' 439' ' ' TYR . 0.0 OUTLIER 174.62 -160.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 4.04 109.363 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -103.95 -30.88 10.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 3.82 109.243 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.21 49.3 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 3.41 109.346 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 439' ' ' TYR . . . . . 0.476 ' CD1' ' OE2' ' A' ' 450' ' ' GLU . 68.7 m-85 -138.74 173.88 11.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 2.51 110.971 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -134.77 112.87 11.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 3.49 111.013 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 441' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -84.89 110.99 19.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 2.91 111.014 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 442' ' ' PHE . . . . . 0.702 ' CZ ' HG21 ' A' ' 432' ' ' VAL . 5.9 m-85 -121.33 146.92 46.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.608 1.193 . . . . 3.25 111.009 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 443' ' ' PHE . . . . . 0.584 ' CD1' ' C ' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -153.61 147.91 25.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 4.83 111.01 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -158.93 102.62 1.66 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.475 1.109 . . . . 3.73 110.265 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 109.12 -91.56 0.66 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.159 . . . . 1.8 110.939 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 17.7 t -151.57 33.08 0.56 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 0.783 . . . . 1.97 110.019 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -137.02 134.59 36.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 2.17 109.297 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 448' ' ' GLN . . . . . 0.489 ' O ' HD23 ' A' ' 462' ' ' LEU . 0.0 OUTLIER -107.91 88.12 2.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 2.93 110.295 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -87.87 143.62 27.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 2.34 111.005 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 0.931 ' O ' HG23 ' A' ' 458' ' ' ILE . 1.7 tt0 -121.31 134.17 55.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.374 1.046 . . . . 2.9 110.306 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 451' ' ' TYR . . . . . 0.486 ' CD1' ' CE2' ' A' ' 422' ' ' PHE . 1.5 t80 -105.69 143.75 33.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.581 1.175 . . . . 2.76 111.015 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -125.75 111.27 14.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 2.83 109.303 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 453' ' ' PHE . . . . . 0.409 ' O ' ' CD1' ' A' ' 453' ' ' PHE . 19.3 t80 -59.59 -15.69 20.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.411 1.069 . . . . 3.31 110.989 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 20.1 tp -42.57 -42.09 3.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 2.54 109.225 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -163.51 29.97 0.09 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 2.18 109.357 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 47.77 57.02 6.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 3.22 110.322 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.62 135.44 44.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.564 1.165 . . . . 4.49 110.273 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 458' ' ' ILE . . . . . 0.931 HG23 ' O ' ' A' ' 450' ' ' GLU . 24.1 mt -100.13 114.38 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 1.59 109.317 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 10.2 t -115.65 38.25 3.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 3.04 110.436 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -152.59 109.67 3.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.404 1.065 . . . . 4.12 109.353 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 24.2 m -126.04 85.61 2.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 2.18 110.396 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 462' ' ' LEU . . . . . 0.909 HD12 ' HB3' ' A' ' 466' ' ' SER . 0.9 OUTLIER -125.91 178.12 5.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 1.83 109.333 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.0 173.78 6.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 3.96 109.322 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -32.19 73.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.81 110.024 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -104.07 57.42 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 2.88 109.304 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 466' ' ' SER . . . . . 0.909 ' HB3' HD12 ' A' ' 462' ' ' LEU . 0.1 OUTLIER -116.55 -9.77 11.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.105 . . . . 2.95 110.001 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 17.2 m95 -103.31 -44.86 5.05 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.495 1.122 . . . . 3.94 108.04 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 468' ' ' PHE . . . . . 0.807 ' CE2' HD13 ' A' ' 281' ' ' LEU . 3.0 t80 -48.82 -47.35 42.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 6.93 111.015 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 120.95 55.53 0.23 Allowed Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.458 1.099 . . . . 2.2 111.064 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 470' ' ' CYS . . . . . 1.283 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 N-CA-C 108.332 -0.988 . . . . 3.84 108.332 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 281' ' ' LEU . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 468' ' ' PHE . 70.2 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.299 -0.63 . . . . 2.96 109.299 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 282' ' ' CYS . . . . . 1.288 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 3.1 t -79.46 57.64 2.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 3.4 108.289 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -176.21 109.33 0.25 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 3.47 109.33 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 78.09 2.98 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.482 1.78 . . . . 1.97 111.015 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -146.21 36.21 1.01 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 3.16 109.25 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 286' ' ' LEU . . . . . 0.589 HD22 ' CZ2' ' A' ' 307' ' ' TRP . 0.2 OUTLIER -113.51 175.03 5.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 3.48 109.315 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 61.8 p -144.62 169.31 18.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 1.53 109.984 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -129.17 152.47 48.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 1.77 110.981 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.35 -52.55 4.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 2.51 109.283 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 290' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 332' ' ' ILE . . . -157.43 157.6 34.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.42 109.323 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 291' ' ' VAL . . . . . . . . . . . . . 93.3 t -136.95 143.64 34.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 2.35 109.329 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 292' ' ' THR . . . . . 0.403 ' HB ' ' HB3' ' A' ' 335' ' ' ALA . 12.0 t -145.11 154.32 42.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 1.15 110.405 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 4.7 t -111.0 146.74 36.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 2.31 110.42 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 90.9 t -139.41 72.41 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.98 109.302 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 98.0 -112.14 4.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 1.66 110.972 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -113.68 15.43 18.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.757 . . . . 3.19 109.279 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.57 ' HA ' HG21 ' A' ' 310' ' ' VAL . 41.5 mtmt -121.57 152.54 39.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 3.73 109.298 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 298' ' ' ILE . . . . . 0.676 ' H ' HG11 ' A' ' 310' ' ' VAL . 10.6 pt -129.83 125.59 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 2.04 109.287 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 299' ' ' PHE . . . . . 0.546 ' CD1' HD21 ' A' ' 308' ' ' LEU . 7.0 m-85 -106.47 148.75 27.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 3.07 111.026 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 300' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -125.86 97.03 4.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 2.81 111.028 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 301' ' ' PHE . . . . . 0.559 ' CE1' HG12 ' A' ' 321' ' ' ILE . 24.3 m-85 -84.18 156.6 21.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 2.81 111.035 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 302' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 305' ' ' PHE . 0.0 OUTLIER -161.6 70.33 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 3.68 109.264 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 3.5 t70 49.14 83.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 3.59 109.297 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 304' ' ' ARG . . . . . 0.423 ' HB3' ' CD1' ' A' ' 320' ' ' LEU . 2.8 mmt85 76.06 -54.23 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 6.72 110.317 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 305' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 302' ' ' LYS . 38.2 m-85 -79.94 120.33 24.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 4.47 110.989 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 306' ' ' PHE . . . . . 0.534 ' CZ ' ' HB2' ' A' ' 319' ' ' ASN . 5.4 p90 -133.94 144.84 49.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 2.04 110.986 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 307' ' ' TRP . . . . . 0.589 ' CZ2' HD22 ' A' ' 286' ' ' LEU . 16.9 m-90 -101.21 157.42 16.79 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.005 -1.109 . . . . 4.61 108.005 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 308' ' ' LEU . . . . . 0.546 HD21 ' CD1' ' A' ' 299' ' ' PHE . 0.3 OUTLIER -141.51 129.37 21.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 2.3 109.248 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -165.01 98.26 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 2.18 109.254 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 310' ' ' VAL . . . . . 0.676 HG11 ' H ' ' A' ' 298' ' ' ILE . 8.2 p -173.31 167.59 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 2.24 109.332 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 311' ' ' SER . . . . . 0.522 ' N ' HG22 ' A' ' 310' ' ' VAL . 33.0 t 67.2 -75.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 4.14 109.975 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -165.52 77.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 5.49 110.319 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.94 134.33 21.8 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 3.8 110.327 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -35.87 2.92 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.461 1.769 . . . . 2.99 111.011 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.23 167.54 28.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 3.67 109.305 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 15.5 p -87.31 134.38 33.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 2.41 110.365 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 2.3 m -126.7 146.94 50.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 3.74 109.983 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 10.4 m -100.94 119.9 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 3.03 109.311 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 319' ' ' ASN . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 306' ' ' PHE . 1.8 m120 -132.86 179.79 5.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 2.16 109.327 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.423 ' CD1' ' HB3' ' A' ' 304' ' ' ARG . 12.1 tp -106.37 132.71 52.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 2.47 109.296 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 321' ' ' ILE . . . . . 0.559 HG12 ' CE1' ' A' ' 301' ' ' PHE . 3.6 mt -62.53 -63.31 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 2.32 109.296 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 322' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 321' ' ' ILE . 3.3 t -37.61 -33.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 2.24 110.045 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 323' ' ' SER . . . . . 0.413 ' N ' ' C ' ' A' ' 321' ' ' ILE . 8.4 t -43.74 -27.46 0.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 1.66 109.995 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 2.8 mp -115.12 -63.21 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 1.81 109.283 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 325' ' ' TRP . . . . . 0.635 ' HB3' HD23 ' A' ' 328' ' ' LEU . 0.5 OUTLIER -65.36 144.21 98.93 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 2.25 107.999 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 326' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 325' ' ' TRP . 18.3 Cg_endo -75.07 -90.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.481 1.779 . . . . 1.66 110.975 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 327' ' ' THR . . . . . 0.876 ' O ' HD22 ' A' ' 328' ' ' LEU . 12.0 t -85.02 86.56 7.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 2.47 110.441 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 328' ' ' LEU . . . . . 0.876 HD22 ' O ' ' A' ' 327' ' ' THR . 4.2 mm? -134.8 155.91 78.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 1.4 109.272 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 329' ' ' PRO . . . . . 0.417 ' O ' ' CB ' ' A' ' 330' ' ' SER . 18.4 Cg_endo -74.99 -36.17 2.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.553 1.817 . . . . 2.37 111.03 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 330' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 329' ' ' PRO . 3.2 m 80.76 -0.05 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 5.03 109.973 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -116.12 -42.57 0.7 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.546 1.154 . . . . 3.92 110.988 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.659 ' CG2' ' HB2' ' A' ' 335' ' ' ALA . 4.1 mp 42.43 89.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 2.17 109.258 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -79.52 -13.89 59.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 2.66 110.326 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -168.97 115.84 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 1.02 109.322 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 335' ' ' ALA . . . . . 0.659 ' HB2' ' CG2' ' A' ' 332' ' ' ILE . . . -129.96 155.59 45.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 1.42 109.336 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 336' ' ' TYR . . . . . 0.745 ' CE2' HD11 ' A' ' 338' ' ' ILE . 22.5 p90 -155.34 114.81 3.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 3.13 110.991 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -98.02 142.77 29.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 3.98 110.276 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 338' ' ' ILE . . . . . 0.745 HD11 ' CE2' ' A' ' 336' ' ' TYR . 1.4 mp -128.29 130.08 69.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 3.76 109.318 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.57 -54.8 14.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 3.58 110.26 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -49.5 -58.79 4.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 2.32 109.323 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -59.37 -32.81 70.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 3.92 110.281 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 342' ' ' ASN . . . . . 0.408 ' C ' ' HG2' ' A' ' 343' ' ' GLN . 9.2 t30 59.8 35.15 22.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 2.99 109.321 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 343' ' ' GLN . . . . . 0.408 ' HG2' ' C ' ' A' ' 342' ' ' ASN . 0.1 OUTLIER -134.97 139.92 45.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 3.19 110.338 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 344' ' ' VAL . . . . . 0.477 HG12 HD21 ' A' ' 346' ' ' LEU . 10.6 t -100.65 139.56 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 1.75 109.316 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 345' ' ' PHE . . . . . 0.818 ' C ' HD22 ' A' ' 346' ' ' LEU . 84.3 m-85 -121.44 130.14 53.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 3.61 110.988 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 1.058 HD23 HD13 ' A' ' 355' ' ' ILE . 1.5 mm? -128.45 105.96 8.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 2.17 109.351 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -99.43 158.44 15.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 3.47 110.989 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 348' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -178.53 143.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 3.8 109.264 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 51.25 -154.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 4.97 109.295 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 350' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -91.62 41.84 1.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 3.89 109.322 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -148.67 148.2 29.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 2.13 109.308 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 352' ' ' TYR . . . . . 0.437 ' OH ' HG22 ' A' ' 368' ' ' ILE . 20.5 m-85 -110.52 164.0 13.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 6.67 110.986 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -155.97 125.75 6.42 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.042 -1.096 . . . . 6.07 108.042 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 354' ' ' LEU . . . . . 0.65 ' C ' HD12 ' A' ' 355' ' ' ILE . 0.8 OUTLIER -113.57 165.95 12.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 1.96 109.336 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 1.058 HD13 HD23 ' A' ' 346' ' ' LEU . 1.5 mp -129.52 118.8 46.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 2.19 109.316 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 16.6 t -124.63 132.25 53.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 2.51 109.975 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 357' ' ' ASN . . . . . 0.672 ' C ' HD23 ' A' ' 358' ' ' LEU . 43.6 m-20 58.79 48.09 11.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 4.32 109.309 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 358' ' ' LEU . . . . . 0.672 HD23 ' C ' ' A' ' 357' ' ' ASN . 0.6 OUTLIER 50.91 40.19 24.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 4.38 109.315 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -164.53 128.75 1.83 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 4.18 110.287 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 360' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 355' ' ' ILE . 18.3 Cg_endo -74.94 169.79 21.83 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.509 1.794 . . . . 1.96 111.003 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.53 167.07 33.45 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 3.04 110.342 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -39.31 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.512 1.796 . . . . 3.24 110.972 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 363' ' ' ASN . . . . . 0.422 ' C ' ' HD3' ' A' ' 365' ' ' PRO . 6.2 m-20 -159.19 112.72 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 3.84 109.285 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 364' ' ' TYR . . . . . 0.564 ' CE2' HD23 ' A' ' 354' ' ' LEU . 0.3 OUTLIER -132.95 58.16 33.44 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 3.78 111.008 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 365' ' ' PRO . . . . . 0.513 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.4 Cg_endo -75.01 62.94 5.96 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.48 1.779 . . . . 1.31 110.977 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 366' ' ' LYS . . . . . 0.532 ' HD3' ' CD2' ' A' ' 364' ' ' TYR . 0.1 OUTLIER -65.72 163.1 17.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 2.09 109.316 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 367' ' ' SER . . . . . 0.443 ' HG ' ' CE1' ' A' ' 369' ' ' HIS . 0.5 OUTLIER -119.92 127.25 52.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 2.49 109.973 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 368' ' ' ILE . . . . . 1.02 HD12 HG13 ' A' ' 377' ' ' VAL . 13.7 pt -65.09 -38.34 82.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 3.72 109.282 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 369' ' ' HIS . . . . . 0.443 ' CE1' ' HG ' ' A' ' 367' ' ' SER . 11.2 p-80 -63.86 -34.22 77.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 4.19 109.604 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 1.5 m -70.05 -8.9 53.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 3.91 110.008 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.97 2.57 53.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 6.29 111.01 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . 129.14 -26.58 4.41 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.486 1.116 . . . . 4.13 111.006 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 373' ' ' PHE . . . . . . . . . . . . . 27.9 t80 52.1 92.71 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.509 0.77 . . . . 5.56 110.99 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 374' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -162.76 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.789 . . . . 3.38 111.053 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -42.38 -57.92 2.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 6.59 109.308 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -161.64 102.83 1.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 6.07 110.94 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 377' ' ' VAL . . . . . 1.02 HG13 HD12 ' A' ' 368' ' ' ILE . 9.1 p -108.84 152.41 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 2.96 109.33 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.86 -37.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 3.99 109.292 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.74 132.99 26.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 1.7 109.256 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 5.0 mt -98.84 146.49 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 1.48 109.302 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.53 -51.08 9.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 2.07 109.286 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 382' ' ' ALA . . . . . 0.445 ' CB ' HG12 ' A' ' 432' ' ' VAL . . . -164.37 176.72 8.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.75 109.267 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -164.17 130.54 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.67 109.305 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 384' ' ' VAL . . . . . 0.503 HG12 ' HB2' ' A' ' 393' ' ' TYR . 9.7 p -141.17 159.45 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 2.24 109.325 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 385' ' ' PHE . . . . . 0.415 ' CG ' ' N ' ' A' ' 386' ' ' ASN . 81.6 t80 -100.28 165.48 11.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 1.86 110.973 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 386' ' ' ASN . . . . . 0.415 ' N ' ' CG ' ' A' ' 385' ' ' PHE . 9.6 t-20 -141.01 105.67 6.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 3.07 109.304 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -13.63 21.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.514 1.797 . . . . 1.78 110.971 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.33 -48.39 28.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 1.97 110.34 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.89 6.26 27.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 3.87 111.016 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 51.73 34.79 13.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 2.31 110.999 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -124.22 161.36 25.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 2.8 110.274 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 15.1 m -116.46 130.81 56.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 0.8 110.43 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 393' ' ' TYR . . . . . 0.503 ' HB2' HG12 ' A' ' 384' ' ' VAL . 20.0 m-30 -85.82 142.89 28.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 2.65 111.002 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.2 115.39 11.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 3.06 110.992 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 395' ' ' PHE . . . . . 0.68 ' CD2' HG21 ' A' ' 429' ' ' ILE . 47.4 m-85 -94.59 120.13 34.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 1.28 111.02 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.24 124.74 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 2.5 109.274 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 51.69 -154.94 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 3.87 109.326 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -84.72 49.91 1.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 3.28 109.31 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.21 169.38 19.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 2.36 110.317 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -126.57 120.31 29.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 2.97 111.0 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 3.9 m95 -115.2 163.42 15.68 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.98 -1.119 . . . . 5.37 107.98 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -152.1 118.34 5.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 2.7 110.317 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -95.83 163.29 13.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 4.83 110.998 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.4 123.87 48.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 2.97 109.29 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -83.04 -50.81 8.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 2.94 110.275 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -66.44 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 6.47 110.31 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -39.43 69.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 3.16 110.337 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.52 36.45 0.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 2.85 110.312 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.71 118.75 13.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 2.51 111.008 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -59.88 125.15 22.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 2.87 111.004 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.58 137.78 5.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 2.98 109.306 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 412' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 413' ' ' GLY . 18.3 Cg_endo -75.01 105.83 2.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.457 1.767 . . . . 2.66 111.023 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 413' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 412' ' ' PRO . . . 50.59 103.4 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.528 1.143 . . . . 2.07 111.016 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 414' ' ' TYR . . . . . 0.532 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 3.9 t80 -132.51 63.61 68.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.774 . . . . 2.26 110.996 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 415' ' ' PRO . . . . . 0.4 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.5 Cg_endo -74.96 69.95 5.39 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.515 1.798 . . . . 1.54 111.003 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 416' ' ' LYS . . . . . 0.532 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 5.1 mmtt -89.23 -172.53 3.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 2.55 109.309 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.1 mt -134.39 133.16 40.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 2.52 109.307 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 418' ' ' ILE . . . . . 0.574 HG22 HD11 ' A' ' 425' ' ' ILE . 2.5 mt -60.73 -66.97 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.9 109.299 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 13.2 t -42.81 -36.09 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 1.05 110.413 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 15.1 mttp -66.19 -65.99 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 1.93 109.301 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 421' ' ' ASN . . . . . 0.588 ' O ' ' CD1' ' A' ' 422' ' ' PHE . 0.7 OUTLIER -47.61 -30.87 3.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 2.49 109.26 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 422' ' ' PHE . . . . . 0.644 ' HB2' HD12 ' A' ' 425' ' ' ILE . 28.1 m-85 -152.8 118.24 5.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 2.44 111.03 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -94.07 100.36 12.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 2.64 110.289 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 424' ' ' GLY . . . . . 0.422 ' HA3' HD13 ' A' ' 458' ' ' ILE . . . 161.71 -33.69 0.36 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 1.77 111.006 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 425' ' ' ILE . . . . . 0.644 HD12 ' HB2' ' A' ' 422' ' ' PHE . 0.2 OUTLIER -86.41 -19.51 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 2.19 109.27 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 89.49 174.52 46.02 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.485 1.115 . . . . 0.78 111.006 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -9.9 21.0 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.472 1.775 . . . . 1.22 111.006 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -125.05 134.77 52.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 2.27 109.323 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 429' ' ' ILE . . . . . 0.784 HD11 ' HB3' ' A' ' 442' ' ' PHE . 9.4 tp -125.13 152.02 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 1.53 109.276 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 430' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 443' ' ' PHE . 2.8 t0 -105.14 -60.02 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 2.21 109.305 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -141.15 153.53 45.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.84 109.311 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.506 HG11 ' CE1' ' A' ' 395' ' ' PHE . 1.2 p -158.01 138.02 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 1.83 109.259 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 433' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 433' ' ' PHE . 3.8 p90 -147.57 167.71 23.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 2.86 111.025 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 434' ' ' TYR . . . . . 0.472 ' CD1' ' O ' ' A' ' 439' ' ' TYR . 25.7 t80 -129.31 84.27 2.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 3.74 111.0 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.24 -5.38 15.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 2.39 109.989 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 436' ' ' LYS . . . . . 0.483 ' HG3' ' CE1' ' A' ' 441' ' ' TYR . 17.3 mmmt -74.05 -167.32 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 3.7 109.346 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -97.34 -36.51 10.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 3.6 109.29 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -159.98 46.48 0.25 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 4.31 109.345 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 439' ' ' TYR . . . . . 0.539 ' CD1' ' OE2' ' A' ' 450' ' ' GLU . 87.8 m-85 -146.9 160.52 42.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 2.23 110.964 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -126.97 116.02 20.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 3.46 111.008 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 441' ' ' TYR . . . . . 0.513 ' CE1' ' HG3' ' A' ' 450' ' ' GLU . 3.3 m-85 -90.49 158.58 16.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 2.4 111.03 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 442' ' ' PHE . . . . . 0.784 ' HB3' HD11 ' A' ' 429' ' ' ILE . 96.0 m-85 -146.44 143.68 29.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 3.37 111.008 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 443' ' ' PHE . . . . . 0.553 ' CE1' ' HG2' ' A' ' 448' ' ' GLN . 0.2 OUTLIER -117.78 118.4 31.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 3.75 110.978 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 444' ' ' GLN . . . . . 0.419 ' OE1' ' HA ' ' A' ' 425' ' ' ILE . 0.0 OUTLIER -142.87 105.01 4.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 6.17 110.307 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 83.13 -89.41 1.52 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 1.72 110.993 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.8 38.02 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 2.11 109.976 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 447' ' ' ASN . . . . . 0.521 ' OD1' ' CD2' ' A' ' 449' ' ' PHE . 16.6 p30 -143.65 133.94 24.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 3.77 109.311 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 448' ' ' GLN . . . . . 0.553 ' HG2' ' CE1' ' A' ' 443' ' ' PHE . 2.9 mt-30 -100.37 113.11 25.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 2.93 110.311 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 449' ' ' PHE . . . . . 0.521 ' CD2' ' OD1' ' A' ' 447' ' ' ASN . 20.2 m-85 -104.41 133.33 49.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 2.57 110.992 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 0.672 ' O ' HG23 ' A' ' 458' ' ' ILE . 2.4 tt0 -116.23 130.62 56.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 3.01 110.305 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -100.41 113.2 25.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 5.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.06 102.74 14.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 4.09 109.305 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 453' ' ' PHE . . . . . 0.418 ' C ' ' N ' ' A' ' 455' ' ' LEU . 19.7 t80 -61.08 -15.2 30.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 3.46 110.988 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 60.5 tp -43.58 -27.48 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 2.19 109.308 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.418 ' N ' ' C ' ' A' ' 453' ' ' PHE . 1.0 OUTLIER -175.37 35.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 2.08 109.31 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 456' ' ' GLN . . . . . 0.404 ' OE1' ' C ' ' A' ' 455' ' ' LEU . 3.7 mp0 44.12 52.12 7.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 3.24 110.318 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -125.89 121.32 32.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 3.58 110.28 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 458' ' ' ILE . . . . . 0.672 HG23 ' O ' ' A' ' 450' ' ' GLU . 5.0 mt -95.2 113.87 30.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 2.98 109.302 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 1.8 t -136.72 60.69 1.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 3.15 110.381 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 460' ' ' LYS . . . . . 0.403 ' CB ' ' HB3' ' A' ' 450' ' ' GLU . 0.0 OUTLIER -160.13 112.24 2.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 3.12 109.265 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 11.3 p -133.68 81.74 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 1.86 110.393 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 462' ' ' LEU . . . . . 0.761 HD11 ' CB ' ' A' ' 466' ' ' SER . 23.5 tp -88.23 158.01 18.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 2.81 109.296 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 463' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 464' ' ' SER . 0.4 OUTLIER -93.98 134.52 36.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 3.31 109.315 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 464' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 463' ' ' LYS . 4.8 t -37.95 -41.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.152 . . . . 1.57 110.016 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 26.8 p30 -112.19 72.2 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 2.9 109.33 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 466' ' ' SER . . . . . 0.761 ' CB ' HD11 ' A' ' 462' ' ' LEU . 67.5 p -109.85 -14.25 14.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 2.79 110.051 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 467' ' ' TRP . . . . . 0.517 ' CZ2' ' CD2' ' A' ' 462' ' ' LEU . 3.5 m-90 -103.91 -53.03 2.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 7.14 108.015 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 468' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 281' ' ' LEU . 9.0 t80 -39.98 -47.54 2.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 7.29 110.994 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 119.15 54.96 0.27 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 2.39 111.005 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 470' ' ' CYS . . . . . 1.288 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 N-CA-C 108.29 -1.004 . . . . 3.3 108.29 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 281' ' ' LEU . . . . . . . . . . . . . 63.1 mt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.321 -0.622 . . . . 3.8 109.321 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 282' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -177.8 40.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 3.14 108.295 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -174.2 127.06 0.44 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.097 . . . . 3.47 109.292 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 73.77 4.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.512 1.796 . . . . 2.28 110.982 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -136.1 21.86 3.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 3.15 109.278 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.44 157.59 16.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 2.68 109.3 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 83.2 p -136.91 153.34 50.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 1.65 110.014 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -117.07 164.29 14.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.093 . . . . 1.88 110.98 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.5 -62.55 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 2.99 109.264 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 290' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 333' ' ' GLU . . . -152.19 145.91 25.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 1.32 109.328 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 291' ' ' VAL . . . . . . . . . . . . . 55.5 t -128.48 145.85 34.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 2.6 109.305 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 292' ' ' THR . . . . . 0.667 HG21 ' CD ' ' A' ' 337' ' ' GLU . 11.6 t -140.06 166.14 25.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 1.72 110.404 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 293' ' ' THR . . . . . 0.587 HG21 ' HB2' ' A' ' 435' ' ' SER . 4.4 t -121.64 129.53 52.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 2.52 110.411 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 294' ' ' VAL . . . . . 0.458 ' O ' HG12 ' A' ' 294' ' ' VAL . 3.5 t -149.82 97.11 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 2.36 109.289 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 76.13 43.69 20.53 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 3.37 110.968 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 296' ' ' ASN . . . . . 0.418 ' CG ' ' O ' ' A' ' 296' ' ' ASN . 25.2 t-20 61.95 25.73 15.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 0.767 . . . . 4.85 109.286 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.76 ' HA ' HG21 ' A' ' 310' ' ' VAL . 9.8 mtmt -112.45 131.83 55.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 3.15 109.301 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 298' ' ' ILE . . . . . 0.671 HD12 ' HZ ' ' A' ' 300' ' ' PHE . 3.3 pt -107.07 110.91 33.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 2.44 109.286 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 299' ' ' PHE . . . . . 0.71 ' CD2' HD21 ' A' ' 308' ' ' LEU . 48.5 m-85 -101.24 117.23 34.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 2.88 111.008 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 300' ' ' PHE . . . . . 0.671 ' HZ ' HD12 ' A' ' 298' ' ' ILE . 6.5 m-85 -99.89 93.45 5.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 3.07 110.994 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 301' ' ' PHE . . . . . 0.572 ' CE1' ' HB3' ' A' ' 299' ' ' PHE . 19.8 m-85 -83.86 161.52 20.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 3.19 111.04 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 302' ' ' LYS . . . . . 0.469 ' O ' ' O ' ' A' ' 305' ' ' PHE . 0.0 OUTLIER -174.85 145.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 3.48 109.303 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 303' ' ' ASP . . . . . 0.422 ' O ' ' HB2' ' A' ' 304' ' ' ARG . 0.5 OUTLIER -43.43 148.92 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 4.03 109.261 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 304' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 303' ' ' ASP . 0.0 OUTLIER 71.89 -74.25 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 4.69 110.27 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 305' ' ' PHE . . . . . 0.469 ' O ' ' O ' ' A' ' 302' ' ' LYS . 27.5 m-85 -135.08 169.81 16.86 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.462 1.101 . . . . 2.53 110.95 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 306' ' ' PHE . . . . . 0.427 ' CD2' HG13 ' A' ' 321' ' ' ILE . 43.1 p90 -127.94 -179.01 4.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 1.84 110.936 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 307' ' ' TRP . . . . . . . . . . . . . 7.6 m-90 -128.87 150.54 50.3 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.939 -1.134 . . . . 4.24 107.939 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 308' ' ' LEU . . . . . 0.71 HD21 ' CD2' ' A' ' 299' ' ' PHE . 0.2 OUTLIER -139.39 132.04 28.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 2.43 109.302 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 309' ' ' LYS . . . . . 0.428 ' CD ' ' O ' ' A' ' 315' ' ' LYS . 15.4 tptt -156.63 90.18 1.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 2.15 109.36 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 310' ' ' VAL . . . . . 0.76 HG21 ' HA ' ' A' ' 297' ' ' LYS . 8.7 p -175.34 176.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 2.24 109.282 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 311' ' ' SER . . . . . 0.67 ' H ' HG22 ' A' ' 310' ' ' VAL . 24.2 t 63.94 -98.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 4.38 110.026 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -148.02 75.98 1.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.08 . . . . 4.8 110.321 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 313' ' ' ARG . . . . . 0.423 ' H ' ' NE ' ' A' ' 313' ' ' ARG . 0.0 OUTLIER -111.31 157.19 39.72 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 9.83 110.356 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -53.27 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.777 . . . . 3.45 110.977 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 315' ' ' LYS . . . . . 0.547 ' HG2' ' CE2' ' A' ' 468' ' ' PHE . 0.4 OUTLIER -140.57 -77.44 0.3 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 4.28 109.266 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 316' ' ' THR . . . . . 0.505 HG23 ' C ' ' A' ' 315' ' ' LYS . 40.9 p -156.07 -179.31 8.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 1.67 110.421 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.33 144.36 50.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 2.46 109.985 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 3.7 t -139.38 68.39 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.112 . . . . 2.26 109.373 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -122.44 175.96 6.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.419 1.075 . . . . 2.87 109.242 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.442 ' CD2' ' HB2' ' A' ' 322' ' ' SER . 0.5 OUTLIER -94.92 152.67 18.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 1.79 109.314 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 321' ' ' ILE . . . . . 0.427 HG13 ' CD2' ' A' ' 306' ' ' PHE . 1.1 mp -65.27 -64.31 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 1.19 109.329 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 322' ' ' SER . . . . . 0.442 ' HB2' ' CD2' ' A' ' 320' ' ' LEU . 69.7 m -43.67 -29.2 0.48 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 2.06 109.997 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 4.8 t -54.69 -40.5 69.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 1.27 110.01 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.47 -83.09 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.085 . . . . 2.17 109.34 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 1.5 m0 -50.15 152.28 3.04 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 107.964 -1.124 . . . . 1.66 107.964 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -88.42 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.558 1.82 . . . . 1.05 110.993 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 327' ' ' THR . . . . . 0.919 ' O ' HD22 ' A' ' 328' ' ' LEU . 9.7 t -100.22 93.01 5.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 1.36 110.394 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 328' ' ' LEU . . . . . 0.919 HD22 ' O ' ' A' ' 327' ' ' THR . 3.4 mm? -136.9 147.02 57.44 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 1.13 109.344 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 329' ' ' PRO . . . . . 0.463 ' HD2' ' CD1' ' A' ' 328' ' ' LEU . 18.6 Cg_endo -74.87 157.66 43.18 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.515 1.798 . . . . 2.04 111.077 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.6 140.77 35.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 2.52 109.969 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 331' ' ' GLY . . . . . 0.402 ' CA ' ' HA ' ' A' ' 303' ' ' ASP . . . 72.27 57.46 5.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 1.22 110.944 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.421 HG21 HD12 ' A' ' 346' ' ' LEU . 50.1 mm -58.27 140.29 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 0.742 . . . . 2.16 109.293 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 333' ' ' GLU . . . . . 0.516 ' O ' ' HB2' ' A' ' 290' ' ' ALA . 3.7 mt-10 -89.51 -51.67 5.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 3.49 110.29 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 334' ' ' ALA . . . . . 0.432 ' HB3' ' CB ' ' A' ' 347' ' ' PHE . . . -129.82 164.4 24.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 1.39 109.289 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -154.81 133.66 12.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 1.05 109.298 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 336' ' ' TYR . . . . . 0.593 ' C ' ' CD1' ' A' ' 336' ' ' TYR . 0.1 OUTLIER -145.14 92.51 2.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 4.33 111.004 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 337' ' ' GLU . . . . . 0.667 ' CD ' HG21 ' A' ' 292' ' ' THR . 2.5 mp0 -87.16 164.42 16.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 6.07 110.303 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 338' ' ' ILE . . . . . 0.617 HD12 ' HB3' ' A' ' 340' ' ' ALA . 0.2 OUTLIER -154.13 111.42 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 4.88 109.37 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -71.81 -38.08 70.28 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.522 1.139 . . . . 4.43 110.262 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 340' ' ' ALA . . . . . 0.617 ' HB3' HD12 ' A' ' 338' ' ' ILE . . . -43.38 -35.02 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 2.41 109.354 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 341' ' ' ARG . . . . . 0.443 ' HG3' HG21 ' A' ' 338' ' ' ILE . 0.0 OUTLIER -109.38 -19.07 13.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 4.53 110.361 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 68.01 44.94 1.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 3.32 109.25 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 343' ' ' GLN . . . . . 0.539 ' OE1' HD21 ' A' ' 354' ' ' LEU . 44.8 mt-30 -114.47 171.23 7.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 2.35 110.278 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 344' ' ' VAL . . . . . 0.522 HG12 ' CD2' ' A' ' 346' ' ' LEU . 24.9 t -138.81 106.57 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 1.9 109.352 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 345' ' ' PHE . . . . . 0.704 ' C ' HD22 ' A' ' 346' ' ' LEU . 88.6 m-85 -103.99 130.35 51.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 3.83 110.937 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.704 HD22 ' C ' ' A' ' 345' ' ' PHE . 3.2 mm? -119.51 163.14 17.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 1.53 109.283 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 347' ' ' PHE . . . . . 0.432 ' CB ' ' HB3' ' A' ' 334' ' ' ALA . 20.9 m-85 -137.34 137.81 39.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 2.49 111.035 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 348' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.1 OUTLIER -166.2 125.41 1.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.414 1.071 . . . . 3.37 109.298 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.4 t70 53.54 -151.84 0.32 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 3.02 109.341 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 350' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -89.37 41.92 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 4.7 109.297 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 348' ' ' LYS . 5.3 mttp -155.19 154.17 31.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.605 1.191 . . . . 1.88 109.3 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 352' ' ' TYR . . . . . 0.633 ' HD2' HG23 ' A' ' 368' ' ' ILE . 26.0 p90 -140.0 141.38 36.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 2.57 111.028 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -101.99 156.56 17.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 6.1 108.012 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 354' ' ' LEU . . . . . 0.612 HD13 ' C ' ' A' ' 354' ' ' LEU . 2.8 tm? -121.06 131.68 54.42 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 1.093 . . . . 2.86 109.268 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.522 ' N ' HD13 ' A' ' 354' ' ' LEU . 3.9 mp -130.62 93.56 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 1.46 109.255 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 86.2 p -98.51 135.22 40.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 1.68 110.023 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 357' ' ' ASN . . . . . 0.581 ' O ' HD23 ' A' ' 358' ' ' LEU . 8.6 m120 60.44 43.06 13.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.124 . . . . 2.83 109.263 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 358' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 357' ' ' ASN . 0.3 OUTLIER 54.07 36.85 25.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 2.92 109.292 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 10.3 mmm-85 -149.2 129.32 6.66 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 4.02 110.319 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 360' ' ' PRO . . . . . 0.446 ' HA ' ' O ' ' A' ' 354' ' ' LEU . 18.2 Cg_endo -75.03 165.35 31.46 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.459 1.768 . . . . 1.61 110.998 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 361' ' ' GLU . . . . . 0.603 ' OE2' ' CE1' ' A' ' 364' ' ' TYR . 0.7 OUTLIER -81.15 165.49 44.5 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 3.06 110.255 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 362' ' ' PRO . . . . . 0.54 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.2 Cg_endo -75.02 56.03 4.14 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.457 1.767 . . . . 2.4 110.972 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 363' ' ' ASN . . . . . 0.54 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 1.7 m-20 84.96 102.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 4.38 109.221 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 364' ' ' TYR . . . . . 0.603 ' CE1' ' OE2' ' A' ' 361' ' ' GLU . 0.1 OUTLIER -127.77 65.97 69.35 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 3.05 111.011 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 365' ' ' PRO . . . . . 0.424 ' HD3' ' C ' ' A' ' 363' ' ' ASN . 18.2 Cg_endo -75.05 56.97 4.45 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.484 1.781 . . . . 1.2 111.013 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 366' ' ' LYS . . . . . 0.562 ' HE3' ' CE1' ' A' ' 364' ' ' TYR . 0.8 OUTLIER -83.64 -179.49 7.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 1.75 109.308 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 2.2 m -148.7 137.85 21.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 1.92 110.015 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 368' ' ' ILE . . . . . 0.633 HG23 ' HD2' ' A' ' 352' ' ' TYR . 27.5 pt -59.92 -17.8 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 1.96 109.324 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 369' ' ' HIS . . . . . 0.472 ' CA ' ' HB2' ' A' ' 373' ' ' PHE . 0.1 OUTLIER -60.52 -35.19 75.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 2.85 109.628 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 18.3 t -64.19 -10.55 23.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 2.47 110.014 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -96.12 33.47 1.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 5.78 110.98 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . 112.09 -43.25 1.76 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 3.59 110.975 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 373' ' ' PHE . . . . . 0.472 ' HB2' ' CA ' ' A' ' 369' ' ' HIS . 0.8 OUTLIER 54.71 95.67 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.535 0.785 . . . . 4.79 111.046 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 374' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -163.94 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.56 1.821 . . . . 2.39 110.994 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 32.5 p30 -116.3 51.22 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 5.13 109.272 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 178.09 36.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 7.85 110.96 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 377' ' ' VAL . . . . . 0.414 ' O ' ' CB ' ' A' ' 378' ' ' LYS . 2.2 p -117.75 157.44 19.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.526 1.141 . . . . 2.45 109.307 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 378' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 377' ' ' VAL . 1.9 mtmt 169.86 -36.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 3.47 109.309 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 379' ' ' LYS . . . . . 0.417 ' O ' HG13 ' A' ' 396' ' ' VAL . 3.7 pttt -149.97 127.58 11.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 1.76 109.326 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 380' ' ' ILE . . . . . 0.602 HD11 HD13 ' A' ' 368' ' ' ILE . 9.6 mt -92.71 143.56 11.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 1.03 109.244 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.76 -49.69 7.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 1.82 109.368 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -159.04 167.5 29.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.7 109.286 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -149.06 120.58 7.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.75 109.332 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 384' ' ' VAL . . . . . 0.58 ' O ' HG23 ' A' ' 392' ' ' THR . 12.2 p -126.82 154.6 36.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 1.98 109.267 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -102.19 155.76 18.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.85 110.98 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -141.96 96.24 6.7 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 2.4 109.236 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -11.68 21.48 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.525 1.803 . . . . 1.89 110.98 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -75.23 -24.98 57.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 2.12 110.291 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.46 4.52 7.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 2.79 110.983 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 54.09 31.15 13.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 2.43 111.013 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 391' ' ' ARG . . . . . 0.438 ' NH1' ' OD2' ' A' ' 411' ' ' ASP . 6.4 mtt180 -131.08 165.7 22.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 3.07 110.266 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 392' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 384' ' ' VAL . 50.9 m -125.92 132.84 52.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.75 110.342 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 393' ' ' TYR . . . . . 0.4 ' CE2' ' OH ' ' A' ' 400' ' ' TYR . 6.3 m-85 -80.19 140.81 36.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 1.91 110.964 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -128.59 113.37 15.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.414 1.071 . . . . 2.25 111.047 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 395' ' ' PHE . . . . . 0.53 ' CD2' HG21 ' A' ' 429' ' ' ILE . 23.2 m-85 -98.03 120.06 37.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 1.31 111.006 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 396' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 379' ' ' LYS . 5.1 t -145.15 130.85 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 1.64 109.304 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 1.5 t0 50.49 -153.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 3.29 109.328 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -89.04 49.63 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.591 1.182 . . . . 4.02 109.261 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -147.46 159.52 43.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 2.72 110.282 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 400' ' ' TYR . . . . . 0.4 ' OH ' ' CE2' ' A' ' 393' ' ' TYR . 2.6 t80 -116.65 109.6 17.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 2.37 111.003 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -107.24 154.46 21.2 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 5.46 108.044 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -148.43 125.3 11.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 2.6 110.288 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 403' ' ' TYR . . . . . 0.464 ' CD2' ' HB3' ' A' ' 410' ' ' MET . 5.8 m-85 -105.01 167.0 9.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.408 1.068 . . . . 6.8 110.975 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.31 128.04 54.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 2.15 109.327 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -87.03 -40.87 14.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 2.64 110.291 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -64.88 0.79 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 5.63 110.388 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -41.93 96.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 3.47 110.29 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 77.46 40.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 3.26 110.26 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.27 105.22 4.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 2.15 110.994 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 410' ' ' MET . . . . . 0.464 ' HB3' ' CD2' ' A' ' 403' ' ' TYR . 0.2 OUTLIER -55.48 133.14 49.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 3.01 110.945 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 411' ' ' ASP . . . . . 0.438 ' OD2' ' NH1' ' A' ' 391' ' ' ARG . 0.2 OUTLIER -51.13 139.87 23.39 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 2.64 109.298 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 110.44 3.12 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.525 1.803 . . . . 2.53 110.983 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 49.96 101.53 0.01 OUTLIER Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.464 1.102 . . . . 1.94 110.952 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 414' ' ' TYR . . . . . 0.558 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 2.0 t80 -133.97 62.84 59.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.481 0.754 . . . . 1.85 111.034 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 415' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.1 Cg_endo -75.08 66.64 6.08 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 1.36 110.992 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 416' ' ' LYS . . . . . 0.558 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 15.0 mmtt -84.83 -172.38 4.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 2.3 109.304 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.26 132.83 38.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 1.86 109.266 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 418' ' ' ILE . . . . . 0.641 ' H ' HD12 ' A' ' 418' ' ' ILE . 3.6 mp -60.64 -73.45 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 1.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 419' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 418' ' ' ILE . 0.7 OUTLIER -38.64 -30.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 1.6 110.383 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 420' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 418' ' ' ILE . 31.5 mttt -70.36 -58.45 3.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 1.79 109.286 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -59.95 -47.58 85.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 2.69 109.281 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 422' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -122.24 101.39 7.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 2.68 110.948 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -88.88 115.91 26.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 1.89 110.276 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 140.15 -29.42 2.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 1.99 110.968 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 425' ' ' ILE . . . . . 0.509 HD12 HD13 ' A' ' 429' ' ' ILE . 20.2 pt -85.06 -48.57 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 2.31 109.298 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 127.82 169.7 12.7 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.112 . . . . 1.11 111.079 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 427' ' ' PRO . . . . . 0.483 ' O ' HD13 ' A' ' 418' ' ' ILE . 18.5 Cg_endo -74.97 -16.08 20.47 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.498 1.789 . . . . 1.32 111.056 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.4 134.87 54.7 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 2.37 109.305 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 429' ' ' ILE . . . . . 0.904 HD11 ' HB3' ' A' ' 442' ' ' PHE . 5.7 tp -115.41 148.0 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 1.69 109.267 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 430' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 443' ' ' PHE . 7.2 t0 -107.01 -63.11 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 2.69 109.341 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 431' ' ' ALA . . . . . 0.658 ' HB3' ' HB2' ' A' ' 443' ' ' PHE . . . -131.07 147.89 52.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 1.24 109.253 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.413 ' CG2' HG12 ' A' ' 429' ' ' ILE . 21.3 t -145.75 128.43 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 2.67 109.286 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 433' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 441' ' ' TYR . 26.7 p90 -146.45 138.89 25.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 2.85 111.064 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -119.68 120.02 35.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 3.26 110.982 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 435' ' ' SER . . . . . 0.587 ' HB2' HG21 ' A' ' 293' ' ' THR . 10.9 t -134.3 9.99 3.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 3.57 110.005 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 436' ' ' LYS . . . . . 0.469 ' CB ' ' HB2' ' A' ' 439' ' ' TYR . 0.2 OUTLIER -100.41 -154.35 0.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 4.98 109.334 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -109.83 -39.44 5.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 4.54 109.265 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 438' ' ' LYS . . . . . 0.43 ' CG ' ' O ' ' A' ' 438' ' ' LYS . 0.3 OUTLIER -147.31 39.37 0.99 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.402 1.064 . . . . 5.8 109.369 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 439' ' ' TYR . . . . . 0.469 ' HB2' ' CB ' ' A' ' 436' ' ' LYS . 86.7 m-85 -138.06 147.27 43.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 3.58 111.016 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 440' ' ' TYR . . . . . 0.424 ' HB2' ' CE1' ' A' ' 442' ' ' PHE . 7.4 m-85 -128.05 136.48 51.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 3.48 110.942 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 441' ' ' TYR . . . . . 0.553 ' HB3' ' CE2' ' A' ' 433' ' ' PHE . 83.8 m-85 -105.05 130.36 53.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 3.3 111.009 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 442' ' ' PHE . . . . . 0.904 ' HB3' HD11 ' A' ' 429' ' ' ILE . 37.0 m-85 -123.3 149.81 44.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 3.17 111.016 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 443' ' ' PHE . . . . . 0.658 ' HB2' ' HB3' ' A' ' 431' ' ' ALA . 1.5 m-85 -123.54 122.08 37.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 4.25 110.969 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 444' ' ' GLN . . . . . 0.44 ' O ' ' ND2' ' A' ' 447' ' ' ASN . 0.0 OUTLIER -126.97 77.58 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 3.72 110.313 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 98.11 -113.56 4.76 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.442 1.089 . . . . 2.49 111.048 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 67.9 p -111.47 11.44 21.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 2.09 109.989 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 447' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 444' ' ' GLN . 0.2 OUTLIER -132.92 133.23 42.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 2.02 109.277 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 448' ' ' GLN . . . . . 0.561 ' HG2' HD23 ' A' ' 462' ' ' LEU . 0.1 OUTLIER -113.5 134.82 54.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 4.01 110.247 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 449' ' ' PHE . . . . . 0.463 ' HB2' HG22 ' A' ' 425' ' ' ILE . 92.0 m-85 -108.27 151.19 26.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 2.76 110.979 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 0.538 ' OE1' ' CE1' ' A' ' 441' ' ' TYR . 57.2 tt0 -124.13 100.42 6.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 3.04 110.331 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -79.62 119.84 23.12 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.541 1.151 . . . . 3.02 111.035 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.17 158.55 16.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 4.21 109.282 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -90.82 -10.91 41.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 4.01 111.009 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 12.2 tp -47.06 -34.97 6.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 3.19 109.304 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.476 HD13 ' HB2' ' A' ' 457' ' ' ARG . 0.3 OUTLIER -168.08 32.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 3.14 109.242 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 44.3 58.72 3.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 3.01 110.326 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 457' ' ' ARG . . . . . 0.476 ' HB2' HD13 ' A' ' 455' ' ' LEU . 2.7 mmm180 -140.96 175.65 9.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.612 1.195 . . . . 4.02 110.277 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 458' ' ' ILE . . . . . 0.463 HG21 ' HD2' ' A' ' 449' ' ' PHE . 11.4 mt -110.29 121.57 63.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 1.85 109.291 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 13.6 t -110.79 -19.81 12.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 2.38 110.452 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 460' ' ' LYS . . . . . 0.521 ' O ' HG23 ' A' ' 461' ' ' THR . 0.0 OUTLIER -112.37 134.48 53.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 4.88 109.33 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 461' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 460' ' ' LYS . 4.0 p -155.12 87.07 1.11 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.529 1.143 . . . . 2.49 110.354 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 462' ' ' LEU . . . . . 0.561 HD23 ' HG2' ' A' ' 448' ' ' GLN . 0.0 OUTLIER -105.63 150.82 25.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 2.99 109.27 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 31.5 mtpt -95.48 159.98 14.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.588 1.18 . . . . 3.3 109.307 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 16.9 t -51.8 -44.59 63.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 2.02 109.991 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -94.08 51.59 1.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 3.18 109.305 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 466' ' ' SER . . . . . 0.455 ' HB3' HD12 ' A' ' 462' ' ' LEU . 0.2 OUTLIER -128.5 51.75 1.97 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 2.61 110.04 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -177.89 -40.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 4.58 108.013 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 468' ' ' PHE . . . . . 0.567 ' C ' ' CD1' ' A' ' 468' ' ' PHE . 0.1 OUTLIER -61.08 -28.37 69.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 7.28 111.022 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 113.79 42.27 0.87 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.525 1.141 . . . . 2.48 111.024 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 N-CA-C 108.387 -0.968 . . . . 3.53 108.387 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 281' ' ' LEU . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 468' ' ' PHE . 15.6 mt . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.31 -0.626 . . . . 2.59 109.31 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 282' ' ' CYS . . . . . . . . . . . . . 7.2 t -96.78 57.97 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 2.83 108.288 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -167.7 127.4 1.08 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 3.18 109.342 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 81.92 2.12 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.552 1.817 . . . . 1.76 111.023 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -174.93 34.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 2.67 109.338 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -101.69 139.34 37.47 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 2.19 109.371 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 56.8 p -132.36 151.22 51.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 1.39 110.016 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 288' ' ' PHE . . . . . 0.769 ' CE2' ' CD1' ' A' ' 300' ' ' PHE . 16.8 m-85 -119.88 166.05 13.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 2.8 110.983 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.0 -62.6 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 2.26 109.281 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -127.65 160.61 31.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.87 109.288 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 291' ' ' VAL . . . . . 0.984 HG22 ' HB1' ' A' ' 431' ' ' ALA . 16.9 m -142.85 135.91 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 2.01 109.306 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 292' ' ' THR . . . . . 0.472 ' OG1' ' HB1' ' A' ' 335' ' ' ALA . 1.6 m -151.72 158.51 43.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 2.18 110.36 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 9.4 t -129.08 149.61 50.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 2.47 110.43 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 53.0 t -130.94 71.72 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 1.76 109.308 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 94.33 -107.55 3.56 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.575 1.172 . . . . 1.71 111.033 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 296' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 296' ' ' ASN . 2.5 p-10 -108.46 18.21 21.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 0.738 . . . . 4.16 109.252 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.713 ' HA ' HG23 ' A' ' 310' ' ' VAL . 0.0 OUTLIER -125.32 153.63 43.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 3.62 109.283 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 298' ' ' ILE . . . . . 0.496 ' C ' HD12 ' A' ' 298' ' ' ILE . 2.2 pp -124.1 172.17 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 3.3 109.289 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -144.2 125.87 15.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 2.26 111.002 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 300' ' ' PHE . . . . . 0.769 ' CD1' ' CE2' ' A' ' 288' ' ' PHE . 4.8 m-85 -109.06 98.52 7.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 2.95 110.992 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -80.59 143.15 33.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 2.43 110.974 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -111.78 -63.45 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.165 . . . . 3.21 109.291 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -167.54 -60.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 3.67 109.252 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.16 -27.99 8.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 6.13 110.27 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 305' ' ' PHE . . . . . 0.685 ' CE1' HD12 ' A' ' 320' ' ' LEU . 24.5 m-85 -113.72 161.31 17.67 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 2.92 111.043 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 306' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -123.51 135.46 54.05 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.594 1.184 . . . . 1.79 111.021 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 307' ' ' TRP . . . . . 0.488 ' CE2' HG22 ' A' ' 318' ' ' VAL . 1.4 m-90 -90.13 146.97 23.89 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.963 -1.125 . . . . 4.91 107.963 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.65 79.31 1.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 1.77 109.312 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -105.26 88.55 2.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 2.02 109.299 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 310' ' ' VAL . . . . . 0.713 HG23 ' HA ' ' A' ' 297' ' ' LYS . 4.9 p -105.65 178.53 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.621 1.2 . . . . 2.77 109.35 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 311' ' ' SER . . . . . 0.69 ' H ' HG22 ' A' ' 310' ' ' VAL . 10.9 t -67.18 139.03 57.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 5.39 110.031 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 70.49 41.41 0.98 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 5.62 110.298 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -106.31 130.1 23.49 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 4.63 110.317 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -36.1 2.71 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.538 1.81 . . . . 2.45 111.044 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -156.28 162.72 40.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.093 . . . . 4.21 109.311 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 24.4 p -80.17 144.04 33.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 1.53 110.409 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.19 156.89 18.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 2.05 109.986 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 318' ' ' VAL . . . . . 0.506 ' O ' HG12 ' A' ' 318' ' ' VAL . 84.4 t -142.98 65.57 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 1.97 109.293 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -105.32 -179.56 3.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 1.94 109.274 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.685 HD12 ' CE1' ' A' ' 305' ' ' PHE . 0.6 OUTLIER -103.69 158.15 16.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 1.81 109.232 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 321' ' ' ILE . . . . . . . . . . . . . 4.1 mt -68.26 -72.74 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 1.1 109.297 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 62.2 m -41.55 -32.91 0.39 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 2.09 110.026 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.39 -46.43 6.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 1.28 109.938 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.94 -76.72 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 1.97 109.281 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 325' ' ' TRP . . . . . 0.467 ' HB3' HD23 ' A' ' 328' ' ' LEU . 0.5 OUTLIER -46.94 148.25 1.96 Allowed Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.519 1.137 . . . . 1.56 108.067 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -74.99 -74.22 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.525 1.803 . . . . 1.23 110.996 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 327' ' ' THR . . . . . 0.891 ' O ' HD22 ' A' ' 328' ' ' LEU . 73.9 m -111.66 94.11 4.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 2.86 110.468 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 328' ' ' LEU . . . . . 0.891 HD22 ' O ' ' A' ' 327' ' ' THR . 3.2 mm? -137.21 141.24 33.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 1.21 109.309 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 329' ' ' PRO . . . . . 0.431 ' HD2' ' CD1' ' A' ' 328' ' ' LEU . 18.3 Cg_endo -74.96 158.02 42.61 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.533 1.807 . . . . 2.06 111.051 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 8.3 p -108.89 152.26 25.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 2.4 109.962 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 74.28 45.33 25.2 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.49 1.119 . . . . 1.45 110.991 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.511 ' CD1' HD13 ' A' ' 346' ' ' LEU . 20.5 mt -58.17 129.66 20.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.403 0.707 . . . . 1.6 109.339 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.61 -37.72 14.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.383 1.052 . . . . 3.03 110.29 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 334' ' ' ALA . . . . . 0.607 ' HB1' ' HA ' ' A' ' 382' ' ' ALA . . . -136.11 157.36 47.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 1.92 109.308 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 335' ' ' ALA . . . . . 0.472 ' HB1' ' OG1' ' A' ' 292' ' ' THR . . . -146.09 108.67 4.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 1.04 109.317 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 336' ' ' TYR . . . . . 0.718 ' HB2' ' HB3' ' A' ' 383' ' ' ALA . 34.9 t80 -103.8 147.03 27.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 3.75 111.014 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -116.36 124.4 49.97 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.442 1.089 . . . . 4.89 110.247 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 338' ' ' ILE . . . . . 0.674 ' O ' HG23 ' A' ' 338' ' ' ILE . 3.4 tt -97.96 74.8 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 4.1 109.269 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.3 63.99 0.15 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.143 . . . . 3.67 110.339 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 340' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 338' ' ' ILE . . . -140.58 -67.46 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 2.31 109.255 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 19.5 ptp180 -94.63 10.04 36.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 4.12 110.276 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 54.9 t30 61.47 79.12 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.173 . . . . 2.37 109.337 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -150.95 162.42 40.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 2.67 110.311 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 344' ' ' VAL . . . . . 0.54 ' O ' HG22 ' A' ' 355' ' ' ILE . 87.4 t -117.3 133.42 64.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 1.5 109.31 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 345' ' ' PHE . . . . . 0.447 ' O ' HD23 ' A' ' 346' ' ' LEU . 5.2 m-85 -122.67 141.49 51.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 2.67 111.026 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.704 HD12 HD12 ' A' ' 328' ' ' LEU . 85.2 mt -127.35 169.86 13.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.495 1.122 . . . . 2.5 109.282 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 347' ' ' PHE . . . . . 0.499 ' HB2' ' HB3' ' A' ' 334' ' ' ALA . 33.4 m-85 -138.28 143.34 39.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 2.59 111.02 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 348' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.1 OUTLIER -163.76 117.54 1.51 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 4.54 109.273 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 5.4 t0 54.45 -150.88 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 3.13 109.28 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 350' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 3.9 t70 -87.88 41.34 0.99 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 4.29 109.242 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.419 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 2.7 mtmp? -155.07 152.77 29.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 2.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 352' ' ' TYR . . . . . 0.703 ' HD2' HG23 ' A' ' 368' ' ' ILE . 29.6 p90 -141.25 155.68 45.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 2.6 110.999 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 3.5 m-90 -116.65 163.37 16.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 4.3 107.973 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 354' ' ' LEU . . . . . 0.41 HD13 ' CE1' ' A' ' 345' ' ' PHE . 0.3 OUTLIER -137.48 135.73 37.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 2.04 109.349 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.54 HG22 ' O ' ' A' ' 344' ' ' VAL . 1.0 OUTLIER -119.54 115.5 47.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 3.68 109.292 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 6.3 t -116.16 134.5 54.86 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 1.78 109.989 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 357' ' ' ASN . . . . . 0.752 ' O ' HD23 ' A' ' 358' ' ' LEU . 48.1 m-20 56.38 46.19 21.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 3.43 109.242 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 358' ' ' LEU . . . . . 0.752 HD23 ' O ' ' A' ' 357' ' ' ASN . 0.2 OUTLIER 54.12 27.45 7.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 3.33 109.33 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 1.8 mmt-85 -143.05 127.46 9.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 3.66 110.312 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 360' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 166.26 29.6 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.489 1.784 . . . . 1.84 111.009 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -76.07 158.9 81.62 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.586 1.179 . . . . 2.5 110.299 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 362' ' ' PRO . . . . . 0.549 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.4 Cg_endo -74.87 59.75 5.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.468 1.772 . . . . 2.65 111.021 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 363' ' ' ASN . . . . . 0.549 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 9.2 m-20 85.73 102.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 4.09 109.304 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 364' ' ' TYR . . . . . 0.555 ' CD1' ' CE ' ' A' ' 366' ' ' LYS . 0.0 OUTLIER -128.99 65.99 75.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 3.08 111.029 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 54.66 3.68 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.784 . . . . 1.21 111.077 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 366' ' ' LYS . . . . . 0.555 ' CE ' ' CD1' ' A' ' 364' ' ' TYR . 0.3 OUTLIER -79.47 178.22 8.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 2.17 109.256 -179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.42 135.57 23.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 2.11 109.996 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 368' ' ' ILE . . . . . 0.703 HG23 ' HD2' ' A' ' 352' ' ' TYR . 1.1 pp -61.73 -16.47 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.43 1.081 . . . . 1.99 109.328 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 369' ' ' HIS . . . . . 0.485 ' CA ' ' HB2' ' A' ' 373' ' ' PHE . 0.0 OUTLIER -71.05 -37.56 72.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 2.87 109.546 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.59 -9.94 15.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 2.37 109.977 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.97 5.21 51.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 6.02 111.014 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 372' ' ' GLY . . . . . 0.424 ' O ' ' HB3' ' A' ' 373' ' ' PHE . . . 157.66 -64.79 0.3 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 3.28 110.969 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 373' ' ' PHE . . . . . 0.581 ' CZ ' ' HA ' ' A' ' 375' ' ' ASN . 31.6 t80 58.08 95.04 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.54 0.788 . . . . 4.71 111.022 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 374' ' ' PRO . . . . . 0.54 ' HG2' HG13 ' A' ' 377' ' ' VAL . 18.3 Cg_endo -75.02 -1.13 10.83 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 2.76 111.009 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 375' ' ' ASN . . . . . 0.581 ' HA ' ' CZ ' ' A' ' 373' ' ' PHE . 1.5 t-20 74.05 45.77 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 6.6 109.326 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -159.53 -43.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 5.79 110.945 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 377' ' ' VAL . . . . . 0.54 HG13 ' HG2' ' A' ' 374' ' ' PRO . 34.6 m -48.82 170.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.586 1.179 . . . . 2.84 109.331 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 378' ' ' LYS . . . . . 0.453 ' HG2' ' N ' ' A' ' 379' ' ' LYS . 0.0 OUTLIER -177.88 -35.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 5.18 109.287 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 379' ' ' LYS . . . . . 0.453 ' N ' ' HG2' ' A' ' 378' ' ' LYS . 0.0 OUTLIER -149.61 132.54 16.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 1.68 109.317 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 380' ' ' ILE . . . . . 0.443 HD12 ' CD1' ' A' ' 347' ' ' PHE . 11.9 mt -98.91 143.55 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.97 109.287 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 381' ' ' ASP . . . . . 0.509 ' HB3' HG23 ' A' ' 429' ' ' ILE . 4.1 m-20 -81.11 -49.68 10.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 1.97 109.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 382' ' ' ALA . . . . . 0.729 ' HB3' HG12 ' A' ' 432' ' ' VAL . . . -168.1 171.46 9.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 1.35 109.294 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 383' ' ' ALA . . . . . 0.718 ' HB3' ' HB2' ' A' ' 336' ' ' TYR . . . -153.53 130.75 11.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.88 109.284 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 384' ' ' VAL . . . . . 0.641 HG13 HG13 ' A' ' 432' ' ' VAL . 19.0 m -123.38 159.01 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 2.33 109.273 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 385' ' ' PHE . . . . . 0.406 ' HB2' ' CE1' ' A' ' 336' ' ' TYR . 20.7 t80 -97.77 153.73 18.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 2.05 111.056 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -137.77 93.6 12.15 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 2.53 109.308 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -16.72 20.11 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.402 1.738 . . . . 2.04 111.016 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -75.42 -40.33 57.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.396 1.06 . . . . 2.07 110.267 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -108.64 13.03 25.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 3.31 110.979 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 41.83 51.32 4.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 2.5 110.972 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 -151.6 174.03 13.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.613 1.196 . . . . 3.19 110.273 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 392' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 384' ' ' VAL . 18.3 m -131.59 133.78 45.36 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.555 1.159 . . . . 0.8 110.386 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 393' ' ' TYR . . . . . 0.457 ' HB2' HG22 ' A' ' 384' ' ' VAL . 7.2 m-85 -80.42 134.99 36.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 1.82 110.997 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 394' ' ' PHE . . . . . 0.501 ' CD1' ' CD1' ' A' ' 403' ' ' TYR . 2.4 m-85 -121.93 105.46 10.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.143 . . . . 2.26 110.957 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 395' ' ' PHE . . . . . 0.496 ' CE2' HG11 ' A' ' 432' ' ' VAL . 81.6 m-85 -89.52 116.65 27.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 1.09 110.995 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 10.7 m -143.36 131.69 19.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 2.87 109.254 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 51.88 -154.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 4.42 109.267 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -87.59 49.6 1.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 3.66 109.324 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 399' ' ' GLN . . . . . 0.513 ' O ' HD11 ' A' ' 418' ' ' ILE . 0.7 OUTLIER -146.66 162.93 37.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 2.3 110.219 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 400' ' ' TYR . . . . . 0.501 ' CG ' ' O ' ' A' ' 400' ' ' TYR . 0.4 OUTLIER -117.15 87.27 2.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 2.2 110.996 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -82.42 156.66 24.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 4.97 108.0 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -154.09 127.17 8.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 3.46 110.253 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 403' ' ' TYR . . . . . 0.526 ' CD2' ' HB3' ' A' ' 410' ' ' MET . 9.1 m-85 -106.08 177.3 4.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 6.98 110.96 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -119.71 129.62 54.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 2.56 109.294 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -86.19 -50.3 7.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 3.74 110.301 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -59.07 -64.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 8.06 110.294 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.79 -39.56 92.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 2.91 110.275 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 71.59 46.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 2.6 110.329 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 11.4 tpt -144.91 108.86 4.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 2.33 110.951 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 410' ' ' MET . . . . . 0.526 ' HB3' ' CD2' ' A' ' 403' ' ' TYR . 0.0 OUTLIER -57.87 129.27 41.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.578 1.174 . . . . 2.08 110.943 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.93 135.66 56.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 2.67 109.293 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 113.11 3.72 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.448 1.762 . . . . 2.36 110.99 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 49.86 101.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.467 1.104 . . . . 1.94 111.022 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 414' ' ' TYR . . . . . 0.578 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 1.8 t80 -135.34 62.61 51.33 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 1.89 110.974 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 415' ' ' PRO . . . . . 0.432 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -75.02 66.22 6.05 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.507 1.793 . . . . 1.44 111.019 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 416' ' ' LYS . . . . . 0.578 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 9.7 mmtt -80.68 -171.45 3.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 3.55 109.307 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 417' ' ' LEU . . . . . 0.436 HD22 ' O ' ' A' ' 416' ' ' LYS . 0.4 OUTLIER -136.65 138.73 41.42 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.497 1.123 . . . . 2.74 109.304 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 418' ' ' ILE . . . . . 0.513 HD11 ' O ' ' A' ' 399' ' ' GLN . 3.6 mp -69.78 -73.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 1.23 109.34 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 419' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 418' ' ' ILE . 9.3 t -38.12 -31.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 1.32 110.432 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 420' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 418' ' ' ILE . 9.2 mtpt -70.35 -70.0 0.32 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.553 1.158 . . . . 2.26 109.343 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 421' ' ' ASN . . . . . 0.479 ' OD1' ' CZ ' ' A' ' 422' ' ' PHE . 22.8 t-20 -48.79 -50.69 32.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 2.49 109.279 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 422' ' ' PHE . . . . . 0.479 ' CZ ' ' OD1' ' A' ' 421' ' ' ASN . 70.1 m-85 -118.48 97.79 5.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 2.69 111.006 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -70.07 151.56 45.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 3.05 110.26 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 424' ' ' GLY . . . . . 0.433 ' O ' HD13 ' A' ' 425' ' ' ILE . . . 73.61 40.25 47.1 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.443 1.089 . . . . 1.71 111.019 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 425' ' ' ILE . . . . . 0.433 HD13 ' O ' ' A' ' 424' ' ' GLY . 4.8 mm -134.57 -64.64 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 0.752 . . . . 3.38 109.362 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 139.62 164.1 9.76 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.459 1.099 . . . . 1.31 111.0 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -18.68 18.75 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.525 1.803 . . . . 1.57 110.983 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.443 ' O ' ' NE2' ' A' ' 444' ' ' GLN . 0.9 OUTLIER -128.97 141.73 51.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 3.24 109.297 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 429' ' ' ILE . . . . . 0.509 HG23 ' HB3' ' A' ' 381' ' ' ASP . 7.5 tp -111.54 158.17 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 1.88 109.33 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -110.01 -45.15 3.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 2.35 109.252 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 431' ' ' ALA . . . . . 0.984 ' HB1' HG22 ' A' ' 291' ' ' VAL . . . -162.3 152.48 16.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.75 109.32 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.744 HG21 ' CE1' ' A' ' 442' ' ' PHE . 8.4 p -159.21 140.61 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 1.77 109.231 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 433' ' ' PHE . . . . . 0.442 ' HA ' HG12 ' A' ' 384' ' ' VAL . 2.3 p90 -153.17 152.92 31.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 2.77 110.984 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 434' ' ' TYR . . . . . 0.599 ' O ' ' CD2' ' A' ' 434' ' ' TYR . 7.9 t80 -102.85 96.03 6.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 3.76 111.029 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 435' ' ' SER . . . . . 0.435 ' HB3' ' CE2' ' A' ' 433' ' ' PHE . 98.5 p -108.77 -19.72 13.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 2.39 109.975 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 436' ' ' LYS . . . . . 0.401 ' CB ' ' HB2' ' A' ' 439' ' ' TYR . 20.9 mmtt -81.74 -169.23 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 3.6 109.3 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -91.63 -42.01 10.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 4.06 109.305 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 438' ' ' LYS . . . . . 0.432 ' O ' ' CG ' ' A' ' 438' ' ' LYS . 0.0 OUTLIER -156.85 59.67 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 3.23 109.292 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 439' ' ' TYR . . . . . 0.459 ' CE1' ' HB2' ' A' ' 452' ' ' ASP . 34.9 m-85 -146.35 156.19 43.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 2.53 111.041 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -118.94 122.84 43.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 3.2 111.03 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 441' ' ' TYR . . . . . 0.542 ' CE1' ' HG3' ' A' ' 450' ' ' GLU . 6.7 m-85 -109.39 102.55 11.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 2.23 110.999 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 442' ' ' PHE . . . . . 0.744 ' CE1' HG21 ' A' ' 432' ' ' VAL . 37.8 m-85 -104.06 155.93 18.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 3.37 110.948 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 443' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -154.69 150.86 28.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 5.45 111.0 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 444' ' ' GLN . . . . . 0.536 ' CG ' ' O ' ' A' ' 444' ' ' GLN . 3.2 tt0 -163.99 66.04 0.16 Allowed 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.449 1.093 . . . . 4.68 110.27 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 137.92 -72.27 0.45 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 1.84 111.009 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 1.7 t -172.47 49.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 2.34 110.002 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -153.36 123.54 7.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 2.1 109.284 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -107.43 94.74 5.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 3.33 110.292 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 449' ' ' PHE . . . . . 0.511 ' CD1' HD13 ' A' ' 458' ' ' ILE . 96.5 m-85 -82.73 135.33 35.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 2.58 110.992 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 0.542 ' HG3' ' CE1' ' A' ' 441' ' ' TYR . 5.9 tt0 -108.82 115.57 30.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 2.8 110.339 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -101.81 152.73 20.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 2.87 111.008 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 452' ' ' ASP . . . . . 0.459 ' HB2' ' CE1' ' A' ' 439' ' ' TYR . 46.0 t0 -144.86 162.25 37.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 3.53 109.319 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 453' ' ' PHE . . . . . 0.554 ' O ' ' CD1' ' A' ' 453' ' ' PHE . 25.8 t80 -83.9 -7.93 59.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.586 1.179 . . . . 4.9 110.97 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 31.9 tp -45.16 -37.11 4.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 3.53 109.346 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -173.48 35.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 2.48 109.281 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 40.31 54.2 2.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 4.27 110.261 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -139.97 159.02 43.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 3.57 110.249 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 458' ' ' ILE . . . . . 0.511 HD13 ' CD1' ' A' ' 449' ' ' PHE . 56.5 mt -84.5 143.27 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 1.84 109.405 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 81.5 p -122.16 -40.11 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 3.26 110.433 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 460' ' ' LYS . . . . . 0.435 ' HB3' ' CB ' ' A' ' 450' ' ' GLU . 0.0 OUTLIER -110.16 131.76 54.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 3.86 109.293 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 461' ' ' THR . . . . . 0.466 HG22 ' CD1' ' A' ' 449' ' ' PHE . 1.9 p -136.45 64.72 1.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 2.42 110.429 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 462' ' ' LEU . . . . . 0.611 HD12 ' HB3' ' A' ' 466' ' ' SER . 1.6 pt? -90.87 179.1 5.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 2.11 109.286 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -107.96 165.18 11.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 2.5 109.274 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 37.7 t -56.12 -46.56 79.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 2.24 109.953 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 34.2 p-10 -89.48 56.01 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 3.14 109.343 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 466' ' ' SER . . . . . 0.611 ' HB3' HD12 ' A' ' 462' ' ' LEU . 30.0 t -106.44 -20.04 13.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.098 . . . . 2.28 110.006 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 467' ' ' TRP . . . . . 0.483 ' HA ' ' CE3' ' A' ' 467' ' ' TRP . 0.1 OUTLIER -94.25 -54.68 3.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 4.02 107.999 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 468' ' ' PHE . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 281' ' ' LEU . 17.2 t80 -38.77 -50.91 1.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.587 1.18 . . . . 6.73 111.005 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 123.83 60.97 0.19 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.519 1.137 . . . . 2.18 111.036 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 N-CA-C 108.331 -0.988 . . . . 3.48 108.331 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 281' ' ' LEU . . . . . 0.829 HD21 ' CD1' ' A' ' 307' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.311 -0.626 . . . . 2.43 109.311 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 282' ' ' CYS . . . . . 1.103 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 35.8 t 178.2 -80.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 4.56 108.282 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 283' ' ' ASP . . . . . 0.557 ' HB3' HD22 ' A' ' 285' ' ' ASN . 0.6 OUTLIER -93.35 169.03 10.9 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 4.9 109.285 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 60.22 5.4 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.443 1.76 . . . . 2.76 111.004 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 285' ' ' ASN . . . . . 0.557 HD22 ' HB3' ' A' ' 283' ' ' ASP . 0.0 OUTLIER -111.12 -15.88 13.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 3.12 109.33 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 286' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 286' ' ' LEU . 12.1 tp -106.23 164.09 12.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 3.53 109.303 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 90.1 p -144.3 -179.98 6.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 1.61 110.006 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 288' ' ' PHE . . . . . 0.4 ' CE2' ' OG ' ' A' ' 464' ' ' SER . 21.7 m-85 -135.26 167.91 20.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 2.1 110.982 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.2 -55.64 2.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 2.31 109.351 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 290' ' ' ALA . . . . . 0.434 ' HB2' ' C ' ' A' ' 333' ' ' GLU . . . -132.89 152.43 51.87 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.491 1.119 . . . . 0.76 109.285 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 291' ' ' VAL . . . . . 0.471 HG22 ' HB1' ' A' ' 431' ' ' ALA . 3.2 m -149.79 121.02 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 1.85 109.279 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 14.9 t -120.73 146.51 46.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 1.18 110.396 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 293' ' ' THR . . . . . 0.74 HG22 HG22 ' A' ' 298' ' ' ILE . 74.4 p -98.02 141.2 31.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.085 . . . . 2.95 110.376 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 294' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 296' ' ' ASN . 88.8 t -137.21 113.48 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 1.87 109.3 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 59.58 -81.97 0.01 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.469 1.105 . . . . 1.89 110.976 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 296' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 294' ' ' VAL . 34.9 t30 -146.81 34.83 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 0.78 . . . . 4.35 109.279 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.86 ' HA ' HG11 ' A' ' 310' ' ' VAL . 1.9 mtpt -140.23 168.05 20.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 5.4 109.318 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 298' ' ' ILE . . . . . 0.74 HG22 HG22 ' A' ' 293' ' ' THR . 2.2 pp -137.11 124.83 32.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.518 1.136 . . . . 3.18 109.331 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -85.87 127.15 34.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 2.33 111.058 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 300' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -97.98 116.94 31.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 2.71 111.03 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 301' ' ' PHE . . . . . 0.427 ' CE1' HD11 ' A' ' 321' ' ' ILE . 17.7 m-85 -112.97 147.89 36.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 2.14 111.082 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -128.84 -69.34 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 2.92 109.271 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -143.93 -68.13 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 3.21 109.343 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.87 -61.01 1.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 3.86 110.261 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -80.85 171.95 14.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.451 1.094 . . . . 4.04 111.024 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 306' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -142.8 158.97 43.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 1.8 111.006 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 307' ' ' TRP . . . . . 0.829 ' CD1' HD21 ' A' ' 281' ' ' LEU . 9.0 m-90 -109.27 147.48 32.56 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.009 -1.108 . . . . 4.39 108.009 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 8.8 tp -138.73 99.37 3.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 2.48 109.29 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -154.91 106.31 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 3.22 109.279 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 310' ' ' VAL . . . . . 0.86 HG11 ' HA ' ' A' ' 297' ' ' LYS . 1.6 p -163.69 176.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 3.58 109.291 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 311' ' ' SER . . . . . 0.514 ' H ' HG22 ' A' ' 310' ' ' VAL . 9.3 t 64.58 -81.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 4.73 110.027 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -154.82 72.65 0.85 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 6.09 110.323 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.99 146.3 32.86 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.525 1.14 . . . . 5.08 110.301 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -51.67 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 2.04 111.037 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 24.5 ttpt -145.22 163.31 34.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 3.31 109.277 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 316' ' ' THR . . . . . 0.447 HG21 HD22 ' A' ' 281' ' ' LEU . 61.3 p -76.15 177.96 6.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.08 . . . . 1.72 110.451 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.34 175.52 10.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 1.86 110.019 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 318' ' ' VAL . . . . . 0.54 HG12 ' CE2' ' A' ' 307' ' ' TRP . 2.2 m -145.45 83.72 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 2.89 109.317 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -101.93 165.99 10.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 2.53 109.324 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 61.7 tp -108.46 134.69 50.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 2.39 109.262 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 321' ' ' ILE . . . . . 0.427 HD11 ' CE1' ' A' ' 301' ' ' PHE . 2.3 mt -60.79 -68.11 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 1.7 109.301 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 322' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 321' ' ' ILE . 8.6 m -36.69 -42.99 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 2.21 110.04 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 323' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 322' ' ' SER . 3.4 t -38.39 -36.05 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 1.58 109.989 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 4.5 mp -107.29 -74.22 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.177 . . . . 2.3 109.348 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 325' ' ' TRP . . . . . 0.676 ' HB3' HD23 ' A' ' 328' ' ' LEU . 5.3 m-90 -55.79 130.58 72.27 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 3.33 107.994 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -77.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 2.11 110.973 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 327' ' ' THR . . . . . 0.916 ' O ' HD22 ' A' ' 328' ' ' LEU . 10.2 t -85.99 87.55 7.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 1.86 110.371 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 328' ' ' LEU . . . . . 0.916 HD22 ' O ' ' A' ' 327' ' ' THR . 1.8 mm? -142.48 132.32 12.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 1.27 109.358 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 329' ' ' PRO . . . . . 0.495 ' HD2' HD13 ' A' ' 328' ' ' LEU . 18.1 Cg_endo -75.02 -30.42 7.16 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 2.61 110.929 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 7.2 p 60.33 -169.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 2.63 109.987 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 49.08 22.7 3.32 Favored Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.432 1.083 . . . . 1.56 111.023 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.786 HD13 HD12 ' A' ' 346' ' ' LEU . 1.7 mp -50.06 136.52 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.756 . . . . 1.81 109.286 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 333' ' ' GLU . . . . . 0.434 ' C ' ' HB2' ' A' ' 290' ' ' ALA . 35.7 mt-10 -89.0 -33.92 17.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 2.69 110.279 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 334' ' ' ALA . . . . . 0.411 ' HB1' ' CB ' ' A' ' 383' ' ' ALA . . . -132.61 107.42 8.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.85 109.313 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -114.55 121.34 43.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 1.07 109.226 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 336' ' ' TYR . . . . . 0.521 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 35.2 p90 -137.89 116.0 11.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 4.02 110.976 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.27 178.72 6.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 3.84 110.325 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 338' ' ' ILE . . . . . 0.568 ' O ' HG23 ' A' ' 338' ' ' ILE . 0.1 OUTLIER -150.62 105.46 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 3.62 109.319 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.15 83.98 7.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 3.31 110.32 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -160.44 -60.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 1.63 109.318 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 341' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 342' ' ' ASN . 7.9 ptp180 -91.44 -12.31 35.09 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.093 . . . . 5.48 110.365 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 342' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 341' ' ' ARG . 2.0 t-20 77.64 51.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 3.58 109.267 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -136.07 142.4 44.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 2.68 110.33 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 344' ' ' VAL . . . . . 0.455 HG12 ' CD2' ' A' ' 346' ' ' LEU . 11.1 t -106.35 151.51 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.522 1.139 . . . . 1.37 109.297 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 345' ' ' PHE . . . . . 0.795 ' C ' HD22 ' A' ' 346' ' ' LEU . 1.0 OUTLIER -131.21 130.32 42.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 2.59 110.978 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.795 HD22 ' C ' ' A' ' 345' ' ' PHE . 4.0 mm? -131.91 114.65 14.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 1.47 109.266 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 347' ' ' PHE . . . . . 0.855 ' CZ ' HD12 ' A' ' 380' ' ' ILE . 3.3 t80 -99.3 152.73 19.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 6.49 111.039 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 348' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.6 128.5 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 5.1 109.236 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 6.0 t0 56.65 -150.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 2.91 109.284 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 350' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -89.89 40.27 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 4.08 109.334 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.413 ' HD2' ' CZ3' ' A' ' 353' ' ' TRP . 1.3 mttp -154.76 151.95 29.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 1.63 109.306 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 352' ' ' TYR . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 366' ' ' LYS . 3.6 p90 -141.54 114.55 8.62 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.49 1.119 . . . . 2.83 111.015 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 353' ' ' TRP . . . . . 0.649 ' CH2' ' HA ' ' A' ' 365' ' ' PRO . 0.6 OUTLIER -87.14 158.5 19.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 4.48 108.008 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 354' ' ' LEU . . . . . 0.672 HD23 ' CE2' ' A' ' 364' ' ' TYR . 0.3 OUTLIER -124.63 148.98 47.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 2.19 109.328 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.577 ' N ' HD12 ' A' ' 354' ' ' LEU . 6.4 mt -135.99 135.27 50.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 1.58 109.325 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 356' ' ' SER . . . . . 0.418 ' O ' ' CB ' ' A' ' 357' ' ' ASN . 1.7 t -113.2 106.48 14.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 1.98 109.991 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 357' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 356' ' ' SER . 0.7 OUTLIER 76.49 -59.66 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 4.96 109.303 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 358' ' ' LEU . . . . . 0.437 ' O ' HG23 ' A' ' 355' ' ' ILE . 0.3 OUTLIER -161.22 -59.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 3.74 109.271 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.16 123.09 87.49 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 4.12 110.296 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 360' ' ' PRO . . . . . 0.496 ' HG2' HG22 ' A' ' 327' ' ' THR . 18.3 Cg_endo -75.03 -178.94 4.53 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.561 1.821 . . . . 1.83 111.011 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -79.36 161.51 67.24 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 2.91 110.3 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 362' ' ' PRO . . . . . 0.484 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.2 Cg_endo -75.07 64.36 6.11 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.548 1.815 . . . . 2.62 110.963 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 363' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 0.7 OUTLIER 80.33 109.51 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.081 . . . . 3.91 109.219 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 364' ' ' TYR . . . . . 0.672 ' CE2' HD23 ' A' ' 354' ' ' LEU . 0.9 OUTLIER -130.04 65.3 75.07 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.159 . . . . 3.27 111.001 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 365' ' ' PRO . . . . . 0.649 ' HA ' ' CH2' ' A' ' 353' ' ' TRP . 18.5 Cg_endo -75.05 70.48 5.32 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.543 1.812 . . . . 2.1 111.052 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 366' ' ' LYS . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 352' ' ' TYR . 6.9 mmtt -83.81 173.33 11.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 1.89 109.331 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.84 131.09 37.01 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 2.13 110.019 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 35.7 pt -63.72 -41.67 93.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 1.65 109.3 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.39 -32.03 56.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 2.89 109.611 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.72 -7.92 38.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 2.66 109.963 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -156.93 45.26 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 5.58 110.975 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 372' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -162.4 -51.05 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.49 1.119 . . . . 3.47 111.022 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 373' ' ' PHE . . . . . 0.458 ' N ' ' HD3' ' A' ' 374' ' ' PRO . 1.6 t80 37.36 61.01 3.94 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.407 0.71 . . . . 7.63 110.928 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 374' ' ' PRO . . . . . 0.458 ' HD3' ' N ' ' A' ' 373' ' ' PHE . 18.2 Cg_endo -75.0 -162.75 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.768 . . . . 2.43 110.995 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -86.66 -26.14 24.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 6.7 109.276 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 169.17 80.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.59 1.181 . . . . 4.9 110.972 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 377' ' ' VAL . . . . . 0.451 HG22 ' N ' ' A' ' 378' ' ' LYS . 13.5 p -88.82 165.64 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 2.25 109.28 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 378' ' ' LYS . . . . . 0.451 ' N ' HG22 ' A' ' 377' ' ' VAL . 0.4 OUTLIER -174.36 -45.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.148 . . . . 3.12 109.363 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 379' ' ' LYS . . . . . 0.559 ' O ' HG23 ' A' ' 396' ' ' VAL . 0.0 OUTLIER -147.99 134.81 20.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 1.99 109.348 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 380' ' ' ILE . . . . . 0.855 HD12 ' CZ ' ' A' ' 347' ' ' PHE . 25.9 mt -101.58 147.23 8.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.515 1.134 . . . . 1.04 109.34 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 381' ' ' ASP . . . . . 0.402 ' CG ' ' O ' ' A' ' 429' ' ' ILE . 6.0 m-20 -79.71 -50.06 11.16 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.581 1.176 . . . . 2.26 109.336 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 382' ' ' ALA . . . . . 0.788 ' HB2' ' HA ' ' A' ' 431' ' ' ALA . . . -158.18 168.78 26.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.84 109.317 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 383' ' ' ALA . . . . . 0.411 ' CB ' ' HB1' ' A' ' 334' ' ' ALA . . . -152.21 133.54 14.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.99 109.268 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 4.1 p -144.75 154.58 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 2.2 109.32 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -98.6 151.43 20.69 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.587 1.18 . . . . 1.82 111.056 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -122.38 110.1 32.59 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 2.58 109.222 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -9.99 20.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 1.76 110.907 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 1.5 tpt85 -73.59 -49.24 27.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 2.12 110.256 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -119.2 18.05 13.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 3.85 110.94 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 390' ' ' TYR . . . . . 0.432 ' CB ' ' HB3' ' A' ' 406' ' ' ARG . 24.8 m-85 43.68 36.14 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 3.46 110.998 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -108.97 178.61 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 2.92 110.321 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 52.7 m -134.5 134.56 41.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.87 110.422 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -95.52 127.83 41.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 2.45 111.033 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -123.36 117.82 26.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 2.27 110.975 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 395' ' ' PHE . . . . . 0.664 ' O ' HG23 ' A' ' 380' ' ' ILE . 65.1 m-85 -100.61 131.0 46.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 1.39 111.001 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 396' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 379' ' ' LYS . 14.5 p -145.99 133.03 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 3.03 109.295 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 48.42 -152.28 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 3.88 109.299 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -88.13 45.85 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 3.51 109.355 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 399' ' ' GLN . . . . . 0.448 ' HB3' ' CZ3' ' A' ' 401' ' ' TRP . 0.1 OUTLIER -145.36 179.81 7.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 3.77 110.269 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 400' ' ' TYR . . . . . 0.594 ' CE1' ' O ' ' A' ' 401' ' ' TRP . 8.1 t80 -141.17 151.48 43.88 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.447 1.092 . . . . 2.7 110.952 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 401' ' ' TRP . . . . . 0.594 ' O ' ' CE1' ' A' ' 400' ' ' TYR . 2.6 m-90 -139.95 165.02 28.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 5.49 108.007 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -149.26 108.45 3.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 2.65 110.299 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -95.89 152.68 18.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.411 1.069 . . . . 5.26 110.944 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.56 119.73 38.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 2.1 109.266 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.58 -33.9 14.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 3.36 110.247 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 406' ' ' ARG . . . . . 0.432 ' HB3' ' CB ' ' A' ' 390' ' ' TYR . 1.6 ppt_? -71.18 -34.4 70.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 6.11 110.319 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 407' ' ' ARG . . . . . 0.461 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.0 OUTLIER -91.14 -40.89 11.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 2.63 110.237 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 408' ' ' GLN . . . . . 0.461 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 5.3 tt0 83.57 40.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.097 . . . . 2.73 110.325 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 2.9 tpp -154.68 110.23 3.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 2.07 110.933 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.53 140.04 14.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 2.62 111.009 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.69 140.74 47.9 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 2.89 109.289 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 107.83 2.57 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.512 1.796 . . . . 3.28 110.946 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 47.86 93.02 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 2.36 110.986 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 414' ' ' TYR . . . . . 0.527 ' CZ ' ' HG3' ' A' ' 416' ' ' LYS . 80.5 t80 -134.52 61.7 50.53 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 4.34 111.007 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 415' ' ' PRO . . . . . 0.439 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -74.99 78.26 2.94 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.546 1.814 . . . . 1.45 111.024 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 416' ' ' LYS . . . . . 0.527 ' HG3' ' CZ ' ' A' ' 414' ' ' TYR . 48.9 mmtt -100.57 -175.95 3.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 2.44 109.288 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.74 157.24 45.43 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.526 1.141 . . . . 2.12 109.352 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 418' ' ' ILE . . . . . 0.477 HG12 ' CD1' ' A' ' 395' ' ' PHE . 2.6 mp -60.11 -65.14 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 1.37 109.263 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.31 -17.23 41.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 1.46 110.427 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -70.82 -72.52 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 2.4 109.305 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -70.26 -53.4 17.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 2.05 109.318 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 422' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -98.05 103.85 15.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 4.38 110.96 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -85.64 156.11 20.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 4.12 110.276 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 92.25 -33.56 4.86 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.525 1.141 . . . . 1.67 110.928 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 425' ' ' ILE . . . . . 0.79 ' CG2' HD13 ' A' ' 429' ' ' ILE . 4.3 mm -62.63 -72.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 0.771 . . . . 2.96 109.292 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 142.36 -175.37 22.86 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 1.32 110.969 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -40.72 0.85 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.551 1.816 . . . . 1.75 111.066 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -117.64 130.35 56.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 2.7 109.289 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 429' ' ' ILE . . . . . 0.79 HD13 ' CG2' ' A' ' 425' ' ' ILE . 7.1 tp -116.24 139.78 41.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 1.88 109.347 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.77 -83.56 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 2.71 109.251 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 431' ' ' ALA . . . . . 0.788 ' HA ' ' HB2' ' A' ' 382' ' ' ALA . . . -129.94 166.11 20.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 0.91 109.334 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.674 HG21 ' CE2' ' A' ' 442' ' ' PHE . 2.9 p -160.03 150.43 6.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 1.9 109.271 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 433' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 441' ' ' TYR . 4.6 p90 -148.64 166.12 29.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 3.6 110.968 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 434' ' ' TYR . . . . . 0.702 ' O ' HG21 ' A' ' 293' ' ' THR . 6.9 t80 -114.3 112.34 22.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 3.38 110.999 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 435' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 436' ' ' LYS . 60.5 p -134.39 83.42 2.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 3.31 110.037 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 436' ' ' LYS . . . . . 0.524 ' HD3' ' CD1' ' A' ' 439' ' ' TYR . 1.8 mttt 169.82 -162.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 5.26 109.303 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -95.21 -34.07 12.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 4.71 109.314 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 438' ' ' LYS . . . . . 0.511 ' CE ' ' HA ' ' A' ' 438' ' ' LYS . 0.0 OUTLIER -161.36 62.6 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.123 . . . . 3.92 109.273 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 439' ' ' TYR . . . . . 0.524 ' CD1' ' HD3' ' A' ' 436' ' ' LYS . 3.1 m-85 -146.96 163.19 36.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 2.94 111.05 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 440' ' ' TYR . . . . . 0.552 ' HB3' ' CE1' ' A' ' 442' ' ' PHE . 52.0 m-85 -132.02 125.37 31.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.176 . . . . 3.51 111.021 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 441' ' ' TYR . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 433' ' ' PHE . 26.9 m-85 -105.02 106.01 16.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 2.68 111.033 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 442' ' ' PHE . . . . . 0.674 ' CE2' HG21 ' A' ' 432' ' ' VAL . 90.5 m-85 -99.71 164.76 11.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 3.35 110.983 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 443' ' ' PHE . . . . . 0.594 ' HD2' ' HB3' ' A' ' 431' ' ' ALA . 0.1 OUTLIER -144.81 139.59 27.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 5.73 111.032 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 444' ' ' GLN . . . . . 0.418 ' N ' ' CD1' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -158.05 97.59 1.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 3.74 110.348 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 107.51 -69.07 0.22 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 1.95 111.003 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 1.3 m 179.3 41.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 2.71 110.001 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -147.22 132.94 18.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 3.43 109.256 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 448' ' ' GLN . . . . . 0.469 ' O ' ' CD2' ' A' ' 462' ' ' LEU . 1.8 pt20 -118.14 85.33 2.33 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.511 1.132 . . . . 3.89 110.256 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 449' ' ' PHE . . . . . 0.568 ' HB2' HG23 ' A' ' 458' ' ' ILE . 33.1 p90 -81.93 165.28 20.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 5.31 110.97 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 0.516 ' HG3' ' CE2' ' A' ' 441' ' ' TYR . 0.1 OUTLIER -98.52 164.08 12.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 3.86 110.289 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -152.42 126.45 9.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 2.74 110.978 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 452' ' ' ASP . . . . . 0.485 ' HB3' HD23 ' A' ' 455' ' ' LEU . 7.8 t0 -99.4 128.93 45.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 3.78 109.26 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -78.25 4.98 11.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 4.49 110.98 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 45.0 tp -89.17 5.69 43.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.435 1.084 . . . . 4.12 109.272 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.555 HD11 ' HB2' ' A' ' 457' ' ' ARG . 0.7 OUTLIER -171.72 -38.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 3.36 109.277 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 456' ' ' GLN . . . . . 0.475 ' CB ' ' O ' ' A' ' 455' ' ' LEU . 1.6 mt-30 84.26 64.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 3.53 110.288 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 457' ' ' ARG . . . . . 0.555 ' HB2' HD11 ' A' ' 455' ' ' LEU . 0.1 OUTLIER -146.1 143.67 29.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 6.26 110.302 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 458' ' ' ILE . . . . . 0.568 HG23 ' HB2' ' A' ' 449' ' ' PHE . 91.5 mt -80.49 137.44 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 2.25 109.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 34.7 p -120.19 -42.52 2.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 2.74 110.399 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt -109.44 141.51 41.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 4.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 21.8 p -142.31 78.65 1.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 1.96 110.408 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 462' ' ' LEU . . . . . 0.469 ' CD2' ' O ' ' A' ' 448' ' ' GLN . 1.9 pt? -97.42 172.2 7.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.084 . . . . 1.89 109.322 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -95.03 144.75 25.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 3.14 109.301 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 464' ' ' SER . . . . . 0.4 ' OG ' ' CE2' ' A' ' 288' ' ' PHE . 4.0 t -40.79 -43.78 2.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 1.98 109.989 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -99.11 70.74 1.8 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.516 1.135 . . . . 4.13 109.277 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 9.1 t -110.65 -20.56 12.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 2.55 109.965 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -91.16 -47.72 7.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 5.34 108.015 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 468' ' ' PHE . . . . . 0.591 ' CZ ' ' O ' ' A' ' 281' ' ' LEU . 9.2 t80 -39.87 -37.62 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 7.23 111.067 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 120.68 36.4 0.78 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.441 1.088 . . . . 2.48 111.003 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 470' ' ' CYS . . . . . 1.103 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 N-CA-C 108.284 -1.006 . . . . 3.57 108.284 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 281' ' ' LEU . . . . . 0.615 HD23 ' CH2' ' A' ' 307' ' ' TRP . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.305 -0.628 . . . . 3.24 109.305 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 282' ' ' CYS . . . . . 1.151 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 53.2 m -84.38 69.31 10.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 3.16 108.25 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -177.31 110.06 0.23 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 4.17 109.325 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 60.89 5.57 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.405 1.74 . . . . 1.99 111.046 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -161.92 48.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 4.86 109.242 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 14.6 mt -93.32 128.38 39.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 3.55 109.312 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 287' ' ' SER . . . . . 0.408 ' O ' ' CE ' ' A' ' 302' ' ' LYS . 2.8 t -115.29 148.38 39.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 2.85 109.996 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 288' ' ' PHE . . . . . 0.521 ' CD1' ' CD2' ' A' ' 443' ' ' PHE . 21.4 m-85 -121.42 168.15 12.0 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.566 1.166 . . . . 2.51 111.053 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 289' ' ' ASP . . . . . 0.645 ' O ' ' HB2' ' A' ' 431' ' ' ALA . 5.0 m-20 -126.09 -53.21 1.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.579 1.174 . . . . 3.24 109.242 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -137.85 137.15 37.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.81 109.259 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 291' ' ' VAL . . . . . 0.724 HG11 ' CE1' ' A' ' 443' ' ' PHE . 6.1 m -135.46 135.68 51.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 2.14 109.338 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 11.8 t -155.29 153.4 30.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 1.24 110.413 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 293' ' ' THR . . . . . 0.544 HG22 ' CE2' ' A' ' 433' ' ' PHE . 10.5 t -131.82 158.32 41.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 3.16 110.35 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 70.9 t -147.96 95.86 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 1.97 109.379 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 88.29 -118.01 4.97 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 1.75 110.983 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -107.54 5.67 27.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 4.94 109.31 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.811 ' HA ' HG11 ' A' ' 310' ' ' VAL . 1.4 mtpp -110.37 136.44 49.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 2.97 109.255 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 298' ' ' ILE . . . . . 0.637 HD12 ' CZ ' ' A' ' 300' ' ' PHE . 16.5 pt -112.57 129.74 67.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 2.2 109.293 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -106.28 126.73 52.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 2.56 111.031 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 300' ' ' PHE . . . . . 0.637 ' CZ ' HD12 ' A' ' 298' ' ' ILE . 24.4 m-85 -119.32 119.56 34.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 2.77 110.98 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -96.0 134.46 39.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 1.99 110.989 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 302' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 304' ' ' ARG . 0.0 OUTLIER -131.9 89.24 2.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 2.94 109.274 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 56.71 -87.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 4.67 109.324 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 304' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 302' ' ' LYS . 0.2 OUTLIER -118.39 -19.89 8.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 4.43 110.291 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 305' ' ' PHE . . . . . 0.47 ' CD2' ' CG1' ' A' ' 318' ' ' VAL . 2.6 m-85 -87.45 140.18 29.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 4.67 110.988 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 306' ' ' PHE . . . . . 0.438 ' CB ' ' O ' ' A' ' 319' ' ' ASN . 0.5 OUTLIER -106.2 108.99 20.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 4.56 110.974 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 307' ' ' TRP . . . . . 0.615 ' CH2' HD23 ' A' ' 281' ' ' LEU . 0.0 OUTLIER -84.27 138.67 32.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 5.96 108.008 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 308' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 316' ' ' THR . 13.0 tp -143.3 127.54 17.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 2.74 109.338 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 309' ' ' LYS . . . . . 0.458 ' CE ' ' HA ' ' A' ' 468' ' ' PHE . 3.7 tptt -153.76 93.89 1.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 2.43 109.326 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 310' ' ' VAL . . . . . 0.811 HG11 ' HA ' ' A' ' 297' ' ' LYS . 1.2 p -174.33 -179.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 2.89 109.35 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 311' ' ' SER . . . . . 0.548 ' H ' HG22 ' A' ' 310' ' ' VAL . 11.6 t 44.41 88.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 5.1 109.994 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 312' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 311' ' ' SER . 2.1 tt0 37.03 73.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 5.44 110.335 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.07 118.86 19.54 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 4.61 110.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -33.03 4.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.526 1.803 . . . . 2.13 111.007 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -143.15 168.11 20.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 4.35 109.308 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 316' ' ' THR . . . . . 0.645 HG22 ' CD1' ' A' ' 468' ' ' PHE . 12.7 p -75.3 170.1 16.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 1.5 110.419 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.52 172.08 11.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 1.95 110.002 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 318' ' ' VAL . . . . . 0.47 ' CG1' ' CD2' ' A' ' 305' ' ' PHE . 40.4 t -132.22 94.15 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 1.96 109.251 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 319' ' ' ASN . . . . . 0.438 ' O ' ' CB ' ' A' ' 306' ' ' PHE . 1.1 m-80 -103.61 -179.95 4.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 3.48 109.277 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.45 ' HB3' ' CB ' ' A' ' 323' ' ' SER . 0.1 OUTLIER -136.77 139.33 41.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 2.28 109.28 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 321' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 324' ' ' LEU . 3.9 mp -59.13 -73.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 1.31 109.241 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 5.6 m -44.92 -39.68 5.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 2.58 109.983 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 323' ' ' SER . . . . . 0.45 ' CB ' ' HB3' ' A' ' 320' ' ' LEU . 29.1 t -55.42 -36.03 66.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 1.3 110.097 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 324' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 321' ' ' ILE . 4.1 mm? -102.81 -79.78 0.52 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 3.37 109.311 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 325' ' ' TRP . . . . . 0.427 ' HE3' HG23 ' A' ' 321' ' ' ILE . 1.4 m0 -52.09 151.54 6.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 1.52 108.007 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -89.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.483 1.78 . . . . 1.09 110.998 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 327' ' ' THR . . . . . 0.957 ' O ' HD22 ' A' ' 328' ' ' LEU . 1.2 m -93.88 91.22 6.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 2.42 110.35 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 328' ' ' LEU . . . . . 0.957 HD22 ' O ' ' A' ' 327' ' ' THR . 1.5 mm? -145.41 130.79 9.28 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 1.4 109.255 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 329' ' ' PRO . . . . . 0.517 ' HD2' HD13 ' A' ' 328' ' ' LEU . 18.3 Cg_endo -75.02 176.83 9.4 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.446 1.761 . . . . 1.94 110.972 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 4.7 m -115.19 154.08 29.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 2.24 110.009 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 74.53 49.15 11.83 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.107 . . . . 1.41 110.946 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.4 HG21 ' HB2' ' A' ' 335' ' ' ALA . 14.5 mt -49.11 136.48 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.447 0.733 . . . . 1.85 109.287 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -85.0 -40.72 16.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 2.62 110.303 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 334' ' ' ALA . . . . . 0.728 ' HB1' ' HB3' ' A' ' 383' ' ' ALA . . . -160.63 133.4 6.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.99 109.329 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 335' ' ' ALA . . . . . 0.4 ' HB2' HG21 ' A' ' 332' ' ' ILE . . . -132.34 142.53 49.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.09 109.19 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 336' ' ' TYR . . . . . 0.538 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 3.9 p90 -154.9 126.69 7.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 2.9 111.036 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 337' ' ' GLU . . . . . 0.748 ' HG2' HG22 ' A' ' 344' ' ' VAL . 1.8 mp0 -110.67 151.85 27.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 5.28 110.302 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 338' ' ' ILE . . . . . 0.526 HD12 ' CE2' ' A' ' 385' ' ' PHE . 11.4 mm -129.97 115.85 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 3.48 109.257 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -62.59 -39.32 93.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 3.45 110.338 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -57.29 -52.07 66.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 1.8 109.298 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.65 -24.76 58.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.586 1.179 . . . . 5.57 110.31 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 1.2 t30 59.61 39.23 21.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 2.68 109.237 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -124.87 177.77 5.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 2.7 110.356 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 344' ' ' VAL . . . . . 0.748 HG22 ' HG2' ' A' ' 337' ' ' GLU . 52.2 t -143.32 117.33 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 1.37 109.385 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 345' ' ' PHE . . . . . 0.473 ' HB2' ' CE1' ' A' ' 336' ' ' TYR . 8.4 m-85 -109.62 134.92 51.37 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.119 . . . . 2.76 110.987 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.52 HD23 HD12 ' A' ' 328' ' ' LEU . 0.7 OUTLIER -132.23 124.57 29.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 2.33 109.324 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 347' ' ' PHE . . . . . 0.468 ' CE2' ' CE1' ' A' ' 352' ' ' TYR . 6.1 m-85 -99.11 141.1 32.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 2.74 111.046 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 348' ' ' LYS . . . . . 0.441 ' HG2' ' CB ' ' A' ' 329' ' ' PRO . 0.0 OUTLIER -153.54 114.1 4.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 3.48 109.308 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 3.1 t0 50.15 -149.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 3.34 109.232 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 350' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 1.9 p-10 -86.25 40.44 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 3.69 109.316 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -141.26 140.7 33.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 2.67 109.297 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 352' ' ' TYR . . . . . 0.484 ' CE2' HG22 ' A' ' 368' ' ' ILE . 0.1 OUTLIER -102.59 152.45 21.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 5.26 111.053 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -155.63 127.06 7.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 4.15 108.064 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 354' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 355' ' ' ILE . 0.1 OUTLIER -126.84 135.04 50.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 2.41 109.283 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.57 HD11 HD21 ' A' ' 328' ' ' LEU . 3.3 mp -96.67 109.63 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 1.51 109.31 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 356' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 358' ' ' LEU . 11.1 t -89.73 106.63 18.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 1.71 109.966 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 68.82 -65.35 0.29 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 3.88 109.257 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 358' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 356' ' ' SER . 0.2 OUTLIER -144.15 -52.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 5.26 109.343 179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 2.1 tpt85 -93.14 128.03 44.71 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 7.12 110.333 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 360' ' ' PRO . . . . . 0.47 ' HG3' ' CD2' ' A' ' 328' ' ' LEU . 18.0 Cg_endo -74.99 -171.36 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.512 1.796 . . . . 1.44 110.983 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -79.73 126.32 80.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 2.34 110.348 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 362' ' ' PRO . . . . . 0.569 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.3 Cg_endo -74.91 91.07 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 1.87 110.995 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 363' ' ' ASN . . . . . 0.569 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 2.1 t-20 87.03 73.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 4.11 109.349 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 364' ' ' TYR . . . . . 0.576 ' CE2' ' HD3' ' A' ' 366' ' ' LYS . 0.2 OUTLIER -135.08 57.01 18.35 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 3.18 110.993 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 365' ' ' PRO . . . . . 0.539 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -75.01 54.77 3.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.549 1.815 . . . . 1.63 111.004 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 366' ' ' LYS . . . . . 0.576 ' HD3' ' CE2' ' A' ' 364' ' ' TYR . 0.2 OUTLIER -51.61 144.94 9.81 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.459 1.099 . . . . 1.78 109.284 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 367' ' ' SER . . . . . 0.408 ' HB2' ' ND1' ' A' ' 369' ' ' HIS . 51.6 p -95.33 109.65 21.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 4.25 109.961 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 368' ' ' ILE . . . . . 0.484 HG22 ' CE2' ' A' ' 352' ' ' TYR . 5.0 pt -51.64 -22.02 2.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 1.58 109.308 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 369' ' ' HIS . . . . . 0.476 ' C ' ' CD2' ' A' ' 369' ' ' HIS . 0.4 OUTLIER -65.53 -14.48 61.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 3.86 109.593 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 370' ' ' SER . . . . . 0.534 ' O ' ' CD2' ' A' ' 371' ' ' PHE . 17.7 t -66.83 -15.21 63.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 4.37 109.986 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 371' ' ' PHE . . . . . 0.534 ' CD2' ' O ' ' A' ' 370' ' ' SER . 0.3 OUTLIER 161.44 -27.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 6.59 110.961 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 372' ' ' GLY . . . . . 0.579 ' O ' ' CD2' ' A' ' 373' ' ' PHE . . . -62.94 -12.51 43.24 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.597 1.185 . . . . 6.97 111.038 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 373' ' ' PHE . . . . . 0.579 ' CD2' ' O ' ' A' ' 372' ' ' GLY . 7.1 m-85 -177.66 168.93 1.06 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.5 0.765 . . . . 12.13 110.932 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 374' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -178.2 3.99 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.471 1.774 . . . . 4.86 111.015 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -86.8 73.58 9.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 9.42 109.356 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -178.34 -49.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 4.96 110.991 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 377' ' ' VAL . . . . . 0.561 HG21 ' CD1' ' A' ' 373' ' ' PHE . 4.4 t -43.87 163.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 2.19 109.275 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 378' ' ' LYS . . . . . 0.495 ' N ' ' CG1' ' A' ' 377' ' ' VAL . 7.9 mtpt -170.4 -40.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 3.84 109.317 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 9.6 pttt -124.61 119.52 29.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 2.16 109.27 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 380' ' ' ILE . . . . . 0.545 HG12 ' CZ ' ' A' ' 373' ' ' PHE . 1.7 mt -100.14 155.84 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 1.38 109.288 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.33 -46.58 7.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 2.32 109.246 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -163.88 162.49 23.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 1.19 109.287 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 383' ' ' ALA . . . . . 0.728 ' HB3' ' HB1' ' A' ' 334' ' ' ALA . . . -148.98 132.54 16.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 1.22 109.306 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 384' ' ' VAL . . . . . 0.567 HG12 ' HB2' ' A' ' 393' ' ' TYR . 10.2 p -132.03 153.48 38.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 2.81 109.307 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 385' ' ' PHE . . . . . 0.526 ' CE2' HD12 ' A' ' 338' ' ' ILE . 18.6 t80 -122.56 145.85 47.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 1.95 110.978 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -126.33 111.32 23.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 2.61 109.278 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -13.73 21.43 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.492 1.785 . . . . 1.81 110.989 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 2.4 tpt85 -82.75 -37.19 24.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 2.52 110.312 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -103.13 -6.2 22.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 2.64 110.964 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 53.73 42.66 31.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 3.03 110.99 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -144.49 142.71 30.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 3.17 110.281 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 4.8 m -110.02 123.42 49.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.99 110.415 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 393' ' ' TYR . . . . . 0.567 ' HB2' HG12 ' A' ' 384' ' ' VAL . 3.2 m-30 -83.27 134.61 34.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 1.68 110.962 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -121.59 108.55 13.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 1.94 111.013 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 395' ' ' PHE . . . . . 0.622 ' CD1' HG23 ' A' ' 418' ' ' ILE . 42.4 m-85 -88.87 122.49 32.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 1.09 111.008 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 396' ' ' VAL . . . . . 0.806 HG12 ' OD2' ' A' ' 397' ' ' ASP . 67.1 t -138.17 124.51 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 1.73 109.341 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 397' ' ' ASP . . . . . 0.806 ' OD2' HG12 ' A' ' 396' ' ' VAL . 0.5 OUTLIER 51.81 -152.92 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 3.5 109.351 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -85.22 49.86 1.83 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 4.12 109.334 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.15 169.64 20.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 2.78 110.274 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -137.64 145.53 42.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 2.89 111.027 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -130.22 174.19 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.969 -1.123 . . . . 4.56 107.969 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -152.82 115.3 4.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.098 . . . . 4.3 110.349 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 403' ' ' TYR . . . . . 0.464 ' CE2' ' OE2' ' A' ' 405' ' ' GLU . 9.5 t80 -106.71 139.19 41.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 5.26 110.998 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -88.4 139.82 30.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.431 1.082 . . . . 2.75 109.297 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 405' ' ' GLU . . . . . 0.464 ' OE2' ' CE2' ' A' ' 403' ' ' TYR . 17.9 mm-40 -104.76 -43.59 5.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 3.81 110.287 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.23 -38.28 86.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 6.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 407' ' ' ARG . . . . . 0.414 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.2 OUTLIER -92.42 -40.6 10.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 3.88 110.296 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 408' ' ' GLN . . . . . 0.414 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 0.1 OUTLIER 80.45 32.52 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 3.54 110.309 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 15.4 ttt -132.29 107.21 8.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 4.61 110.96 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.74 150.74 40.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 2.07 111.021 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.37 170.22 3.94 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 3.85 109.267 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -65.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.549 1.815 . . . . 3.83 111.008 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . -120.04 -53.12 0.26 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.458 1.099 . . . . 3.6 111.012 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 414' ' ' TYR . . . . . 0.493 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 25.2 t80 40.0 62.96 5.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.747 . . . . 2.46 110.955 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 415' ' ' PRO . . . . . 0.425 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -75.0 80.32 2.46 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.485 1.782 . . . . 1.92 110.984 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 416' ' ' LYS . . . . . 0.493 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 19.7 mmtt -101.51 -173.4 2.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 2.83 109.264 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.0 mt -133.07 149.89 52.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 2.23 109.331 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 418' ' ' ILE . . . . . 0.622 HG23 ' CD1' ' A' ' 395' ' ' PHE . 0.9 OUTLIER -68.79 -47.12 77.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 1.66 109.264 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 6.6 t -70.01 -25.29 63.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 1.32 110.332 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -69.8 -64.01 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 1.58 109.293 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -51.38 -54.75 23.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 2.32 109.331 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 422' ' ' PHE . . . . . 0.662 ' O ' HD11 ' A' ' 425' ' ' ILE . 43.6 m-85 -121.26 109.88 15.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 2.59 110.972 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -98.15 71.29 2.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 2.75 110.29 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 424' ' ' GLY . . . . . 0.725 ' CA ' HD11 ' A' ' 458' ' ' ILE . . . -160.79 24.49 0.26 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.132 . . . . 1.91 111.006 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 425' ' ' ILE . . . . . 0.782 ' N ' HD13 ' A' ' 425' ' ' ILE . 0.2 OUTLIER -147.24 -48.18 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.503 0.767 . . . . 2.17 109.279 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 426' ' ' GLY . . . . . 0.427 ' N ' HG12 ' A' ' 425' ' ' ILE . . . 130.34 179.67 16.22 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.453 1.095 . . . . 1.08 111.053 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 427' ' ' PRO . . . . . 0.469 ' O ' HD13 ' A' ' 418' ' ' ILE . 18.2 Cg_endo -74.99 -29.36 8.31 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.517 1.798 . . . . 1.46 110.974 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.17 139.3 47.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 2.47 109.23 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.33 167.46 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 1.92 109.294 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 430' ' ' ASP . . . . . 0.459 ' N ' ' OD1' ' A' ' 430' ' ' ASP . 0.2 OUTLIER -112.72 -50.52 2.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 2.93 109.346 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 431' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 289' ' ' ASP . . . -153.62 149.22 27.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.9 109.278 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.776 HG22 ' HB3' ' A' ' 442' ' ' PHE . 55.9 t -138.66 135.74 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.603 1.189 . . . . 3.19 109.285 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 433' ' ' PHE . . . . . 0.544 ' CE2' HG22 ' A' ' 293' ' ' THR . 11.5 t80 -153.61 176.53 11.97 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.504 1.127 . . . . 6.77 110.978 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 434' ' ' TYR . . . . . 0.612 ' O ' ' CD2' ' A' ' 434' ' ' TYR . 16.6 p90 -128.44 60.27 1.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 7.19 111.026 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 435' ' ' SER . . . . . 0.503 ' HB3' ' CE2' ' A' ' 433' ' ' PHE . 94.8 p -89.57 96.55 10.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 3.51 110.005 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 436' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? 173.37 -156.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 3.93 109.296 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -87.64 -28.96 21.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 3.39 109.277 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 438' ' ' LYS . . . . . 0.41 ' O ' ' CG ' ' A' ' 438' ' ' LYS . 0.0 OUTLIER 176.37 65.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 3.14 109.312 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -152.44 171.0 18.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 2.3 111.046 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -119.69 118.18 30.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 3.36 110.977 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 441' ' ' TYR . . . . . 0.552 ' CD1' ' HG3' ' A' ' 450' ' ' GLU . 0.9 OUTLIER -107.68 129.97 54.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 2.18 111.002 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 442' ' ' PHE . . . . . 0.776 ' HB3' HG22 ' A' ' 432' ' ' VAL . 0.1 OUTLIER -138.16 163.37 31.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 4.79 110.978 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 443' ' ' PHE . . . . . 0.724 ' CE1' HG11 ' A' ' 291' ' ' VAL . 44.2 m-85 -123.03 123.67 41.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 4.4 110.989 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 444' ' ' GLN . . . . . 0.418 ' O ' ' ND2' ' A' ' 447' ' ' ASN . 0.1 OUTLIER -135.41 60.05 1.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 3.73 110.317 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 445' ' ' GLY . . . . . 0.401 ' O ' ' ND2' ' A' ' 447' ' ' ASN . . . 89.89 82.88 1.35 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.566 1.167 . . . . 3.9 111.03 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 17.7 p 41.05 43.12 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.771 . . . . 2.18 110.047 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 447' ' ' ASN . . . . . 0.552 ' HB3' ' CD1' ' A' ' 449' ' ' PHE . 77.7 m-20 -132.88 110.18 10.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 1.97 109.325 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 448' ' ' GLN . . . . . 0.594 ' OE1' ' CZ ' ' A' ' 443' ' ' PHE . 6.7 tp60 -103.52 63.49 0.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 2.74 110.296 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 449' ' ' PHE . . . . . 0.552 ' CD1' ' HB3' ' A' ' 447' ' ' ASN . 8.9 m-85 -80.38 152.47 28.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 2.62 110.973 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 0.552 ' HG3' ' CD1' ' A' ' 441' ' ' TYR . 6.0 tt0 -116.43 163.08 16.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 3.78 110.306 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 451' ' ' TYR . . . . . 0.538 ' CE1' ' HA ' ' A' ' 456' ' ' GLN . 2.1 t80 -145.47 137.26 25.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 2.7 110.926 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -107.0 137.59 44.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 4.19 109.315 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -89.07 8.14 31.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 4.91 110.985 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 28.7 tp -107.85 -15.98 14.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 4.86 109.337 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.448 ' O ' ' CB ' ' A' ' 456' ' ' GLN . 67.6 mt -133.65 -44.35 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 3.84 109.28 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 456' ' ' GLN . . . . . 0.538 ' HA ' ' CE1' ' A' ' 451' ' ' TYR . 1.5 mt-30 82.43 34.79 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 3.48 110.331 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -117.34 178.56 4.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 4.13 110.358 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 458' ' ' ILE . . . . . 0.725 HD11 ' CA ' ' A' ' 424' ' ' GLY . 71.3 mt -113.33 114.52 47.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 1.69 109.281 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 12.2 p -114.21 12.7 17.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 3.23 110.444 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 460' ' ' LYS . . . . . 0.418 ' HD2' HD22 ' A' ' 462' ' ' LEU . 1.2 mmtt -146.79 125.07 12.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 3.06 109.279 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 461' ' ' THR . . . . . 0.721 HG22 ' O ' ' A' ' 461' ' ' THR . 1.4 m -141.94 59.57 1.48 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.469 1.106 . . . . 2.21 110.395 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 462' ' ' LEU . . . . . 0.696 HD12 ' HB3' ' A' ' 466' ' ' SER . 2.0 pt? -106.52 161.42 14.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 1.94 109.29 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -90.73 150.83 21.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 3.84 109.324 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -42.25 -37.32 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 1.81 110.035 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 49.4 p30 -87.63 59.64 5.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 3.76 109.284 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 466' ' ' SER . . . . . 0.696 ' HB3' HD12 ' A' ' 462' ' ' LEU . 22.7 t -139.87 50.57 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 2.55 109.999 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 467' ' ' TRP . . . . . 0.542 ' CG ' ' O ' ' A' ' 466' ' ' SER . 50.2 m95 -164.65 -44.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 4.16 107.994 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 468' ' ' PHE . . . . . 0.645 ' CD1' HG22 ' A' ' 316' ' ' THR . 9.2 m-85 -69.62 -30.0 67.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 6.31 110.988 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 109.79 61.76 0.51 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.492 1.12 . . . . 2.46 111.044 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 470' ' ' CYS . . . . . 1.151 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 N-CA-C 108.315 -0.994 . . . . 3.26 108.315 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 281' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 282' ' ' CYS . 21.9 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.262 -0.644 . . . . 2.77 109.262 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 282' ' ' CYS . . . . . 1.058 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 0.8 OUTLIER 160.95 48.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 2.6 108.32 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -175.47 130.33 0.41 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 3.19 109.319 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 84.71 1.62 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.458 1.767 . . . . 1.84 111.0 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -170.47 32.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 3.18 109.319 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 286' ' ' LEU . . . . . 0.597 HD11 ' CH2' ' A' ' 307' ' ' TRP . 0.3 OUTLIER -101.22 127.08 47.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 2.85 109.309 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.77 178.11 4.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.12 . . . . 3.12 109.995 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 288' ' ' PHE . . . . . 0.449 ' CD2' ' CD1' ' A' ' 443' ' ' PHE . 51.4 m-85 -147.06 143.85 28.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 2.14 111.044 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 289' ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' A' ' 431' ' ' ALA . 1.0 OUTLIER -104.2 -64.99 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 2.74 109.3 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 290' ' ' ALA . . . . . 0.445 ' HB3' ' HB2' ' A' ' 301' ' ' PHE . . . -132.26 139.89 48.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.87 109.307 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 291' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 299' ' ' PHE . 2.8 p -147.34 140.32 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 2.45 109.278 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 292' ' ' THR . . . . . 0.603 ' HB ' ' HB1' ' A' ' 335' ' ' ALA . 4.5 t -135.86 164.64 27.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 1.22 110.397 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 38.5 p -120.0 131.67 55.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 3.08 110.431 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 47.4 t -117.86 71.6 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 1.66 109.307 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 89.22 -101.97 2.83 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.428 1.08 . . . . 2.2 111.035 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -113.87 10.78 17.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 3.77 109.331 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.587 ' HA ' HG21 ' A' ' 310' ' ' VAL . 0.0 OUTLIER -108.39 178.0 4.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 3.15 109.307 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 298' ' ' ILE . . . . . 0.441 ' C ' ' CD1' ' A' ' 299' ' ' PHE . 2.2 pt -143.93 151.35 16.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 1.88 109.305 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 299' ' ' PHE . . . . . 0.733 ' O ' HG23 ' A' ' 291' ' ' VAL . 16.9 m-85 -140.11 142.6 36.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 2.74 111.04 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 300' ' ' PHE . . . . . 0.437 ' CD1' ' N ' ' A' ' 300' ' ' PHE . 4.6 m-85 -130.23 136.53 49.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 2.64 110.953 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 301' ' ' PHE . . . . . 0.572 ' CE2' HG13 ' A' ' 332' ' ' ILE . 69.7 m-85 -107.61 60.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 2.81 111.005 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 302' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 301' ' ' PHE . 0.1 OUTLIER -36.16 -76.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 3.24 109.305 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.67 -77.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 3.85 109.297 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.17 -13.16 14.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 5.81 110.332 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -114.65 156.03 25.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 2.35 111.003 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 306' ' ' PHE . . . . . 0.587 ' CD1' ' O ' ' A' ' 306' ' ' PHE . 11.0 p90 -120.69 133.18 55.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 1.91 111.013 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 307' ' ' TRP . . . . . 0.597 ' CH2' HD11 ' A' ' 286' ' ' LEU . 22.0 m0 -88.49 135.26 33.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 4.97 108.006 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 308' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 308' ' ' LEU . 0.4 OUTLIER -135.79 88.3 2.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 2.12 109.306 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 309' ' ' LYS . . . . . 0.471 ' CE ' ' HA ' ' A' ' 468' ' ' PHE . 1.3 ttpt -132.5 106.28 7.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 2.97 109.296 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 310' ' ' VAL . . . . . 0.587 HG21 ' HA ' ' A' ' 297' ' ' LYS . 13.8 p -175.72 170.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 2.49 109.3 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 311' ' ' SER . . . . . 0.513 ' N ' HG22 ' A' ' 310' ' ' VAL . 46.8 t 68.17 -80.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 4.12 109.991 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 312' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 314' ' ' PRO . 11.6 mm-40 -126.48 -43.11 1.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 4.25 110.311 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 313' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 312' ' ' GLU . 13.3 mtt85 -36.4 97.42 0.13 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 4.46 110.28 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 314' ' ' PRO . . . . . 0.438 ' N ' ' O ' ' A' ' 312' ' ' GLU . 18.3 Cg_endo -74.96 -25.05 12.3 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 3.07 110.978 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -116.74 144.08 44.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 3.01 109.3 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 316' ' ' THR . . . . . 0.529 HG21 ' CD1' ' A' ' 468' ' ' PHE . 18.8 p -75.14 165.04 25.84 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.531 1.145 . . . . 1.4 110.409 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.05 166.8 12.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 1.84 109.984 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 318' ' ' VAL . . . . . 0.558 ' O ' HG12 ' A' ' 318' ' ' VAL . 73.4 t -144.38 68.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 1.91 109.309 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -107.72 173.35 6.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 1.94 109.314 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.33 153.2 20.08 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.486 1.116 . . . . 1.67 109.251 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 321' ' ' ILE . . . . . 0.515 HG22 ' N ' ' A' ' 322' ' ' SER . 1.8 mt -69.85 -75.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 1.01 109.273 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 322' ' ' SER . . . . . 0.515 ' N ' HG22 ' A' ' 321' ' ' ILE . 14.9 m -37.64 -41.22 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 2.03 109.983 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.28 -33.29 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 1.68 109.983 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.44 -80.4 0.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 1.96 109.278 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 325' ' ' TRP . . . . . 0.618 ' HB3' HD23 ' A' ' 328' ' ' LEU . 0.7 OUTLIER -55.6 150.22 26.59 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 107.976 -1.12 . . . . 2.74 107.976 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -79.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.525 1.803 . . . . 1.21 111.019 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 327' ' ' THR . . . . . 0.968 ' O ' HD22 ' A' ' 328' ' ' LEU . 8.3 t -100.37 93.64 5.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 1.5 110.38 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 328' ' ' LEU . . . . . 0.968 HD22 ' O ' ' A' ' 327' ' ' THR . 2.8 mm? -140.8 137.36 17.14 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 1.28 109.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 329' ' ' PRO . . . . . 0.405 ' HD2' ' CD1' ' A' ' 328' ' ' LEU . 18.3 Cg_endo -75.03 161.82 38.07 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.499 1.789 . . . . 2.25 110.981 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 11.3 p -112.82 154.48 26.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 2.32 110.007 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 62.23 53.57 41.31 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.475 1.109 . . . . 1.27 110.958 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.572 HG13 ' CE2' ' A' ' 301' ' ' PHE . 45.8 mm -53.46 138.34 12.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.42 0.718 . . . . 2.29 109.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.13 -39.63 17.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.093 . . . . 3.7 110.245 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -152.68 122.78 7.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.87 109.326 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 335' ' ' ALA . . . . . 0.603 ' HB1' ' HB ' ' A' ' 292' ' ' THR . . . -102.25 126.65 49.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.91 109.375 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 336' ' ' TYR . . . . . 0.463 ' HB2' ' HB3' ' A' ' 383' ' ' ALA . 0.7 OUTLIER -142.33 99.3 3.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 3.14 110.977 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.5 159.64 30.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 3.45 110.318 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 338' ' ' ILE . . . . . 0.439 HG22 ' H ' ' A' ' 341' ' ' ARG . 32.5 mt -127.73 130.44 70.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 3.03 109.331 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -72.47 -39.09 68.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 3.96 110.335 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -60.99 -34.82 75.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 2.66 109.263 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 341' ' ' ARG . . . . . 0.439 ' H ' HG22 ' A' ' 338' ' ' ILE . 0.3 OUTLIER -84.54 -21.33 30.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 3.74 110.287 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 59.48 36.19 22.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 3.25 109.218 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -129.73 179.48 5.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.586 1.178 . . . . 3.99 110.315 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 344' ' ' VAL . . . . . . . . . . . . . 56.7 t -145.81 142.73 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 1.7 109.308 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 345' ' ' PHE . . . . . 0.462 ' HE1' HD13 ' A' ' 354' ' ' LEU . 0.2 OUTLIER -145.11 91.7 2.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 4.23 110.918 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.466 ' HB3' HD12 ' A' ' 332' ' ' ILE . 15.9 mt -84.28 162.0 20.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 2.51 109.308 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -121.96 140.09 52.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 2.48 110.973 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 348' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -157.83 115.22 2.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.452 1.095 . . . . 4.55 109.346 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 52.28 -152.15 0.26 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.577 1.173 . . . . 3.15 109.316 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 350' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -86.23 44.46 1.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 2.97 109.326 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -155.02 151.45 28.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 2.42 109.301 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 352' ' ' TYR . . . . . 0.519 ' CD1' ' C ' ' A' ' 352' ' ' TYR . 3.2 p90 -139.11 146.29 40.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 3.31 111.012 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -110.07 144.69 38.29 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.024 -1.102 . . . . 4.39 108.024 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 354' ' ' LEU . . . . . 0.814 HD12 ' N ' ' A' ' 355' ' ' ILE . 5.2 tp -108.92 137.68 46.45 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.484 1.115 . . . . 1.86 109.271 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.814 ' N ' HD12 ' A' ' 354' ' ' LEU . 1.3 mp -131.69 90.64 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 1.53 109.295 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 21.6 p -102.78 141.72 35.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 2.61 110.007 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 357' ' ' ASN . . . . . 0.434 ' O ' HD23 ' A' ' 358' ' ' LEU . 19.7 m-20 60.89 39.97 16.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 3.83 109.305 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 358' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 357' ' ' ASN . 0.3 OUTLIER 51.18 36.29 15.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 3.49 109.249 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 12.1 mmm-85 -150.66 130.24 6.59 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.569 1.168 . . . . 4.03 110.369 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 360' ' ' PRO . . . . . 0.42 ' HG2' HG22 ' A' ' 327' ' ' THR . 18.3 Cg_endo -74.99 159.01 41.91 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 1.48 111.004 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -78.54 158.25 76.35 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 3.15 110.297 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 362' ' ' PRO . . . . . 0.556 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.4 Cg_endo -74.96 63.67 5.97 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.504 1.792 . . . . 2.11 111.0 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 363' ' ' ASN . . . . . 0.556 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 7.5 m-20 86.22 103.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 4.62 109.286 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 364' ' ' TYR . . . . . 0.568 ' CD2' ' HE3' ' A' ' 366' ' ' LYS . 0.1 OUTLIER -128.18 66.06 71.49 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 2.95 110.968 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 365' ' ' PRO . . . . . 0.419 ' HD3' ' C ' ' A' ' 363' ' ' ASN . 18.2 Cg_endo -75.03 55.37 3.94 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.456 1.766 . . . . 1.64 111.011 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 366' ' ' LYS . . . . . 0.568 ' HE3' ' CD2' ' A' ' 364' ' ' TYR . 0.2 OUTLIER -82.78 -179.69 7.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 2.26 109.315 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 17.0 m -144.73 138.06 26.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 2.07 109.995 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 18.8 pt -66.74 -11.39 13.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.45 1.094 . . . . 1.66 109.292 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 369' ' ' HIS . . . . . 0.484 ' CA ' ' HB2' ' A' ' 373' ' ' PHE . 0.0 OUTLIER -70.27 -30.36 67.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 3.15 109.559 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.87 -7.89 43.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 2.37 110.027 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.03 8.67 40.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 5.8 111.056 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . 143.12 -54.03 0.6 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.532 1.145 . . . . 4.15 111.049 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 373' ' ' PHE . . . . . 0.484 ' HB2' ' CA ' ' A' ' 369' ' ' HIS . 37.7 t80 56.3 87.4 0.14 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.506 0.768 . . . . 5.12 110.962 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 374' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.39 8.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 2.38 111.025 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 59.59 74.99 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 7.18 109.358 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 1.6 t80 179.32 -36.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 6.4 110.991 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 377' ' ' VAL . . . . . 0.466 HG22 ' H ' ' A' ' 378' ' ' LYS . 0.8 OUTLIER -67.46 176.56 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 1.98 109.304 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 378' ' ' LYS . . . . . 0.466 ' H ' HG22 ' A' ' 377' ' ' VAL . 0.0 OUTLIER 179.77 -36.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 4.68 109.317 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -150.64 138.53 19.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 1.68 109.326 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 11.2 mt -101.41 145.0 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.126 . . . . 0.89 109.349 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.7 -51.78 6.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 1.84 109.321 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 382' ' ' ALA . . . . . 0.813 ' HB2' ' HA ' ' A' ' 431' ' ' ALA . . . -155.91 165.9 35.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.64 109.203 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 383' ' ' ALA . . . . . 0.463 ' HB3' ' HB2' ' A' ' 336' ' ' TYR . . . -153.3 125.72 8.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.69 109.27 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 46.9 t -149.94 159.51 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 2.72 109.278 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -91.76 162.64 14.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 2.69 111.044 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -116.84 95.92 47.63 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 2.43 109.319 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 387' ' ' PRO . . . . . 0.557 ' HG3' ' CE2' ' A' ' 434' ' ' TYR . 18.3 Cg_endo -74.95 49.5 2.26 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.469 1.773 . . . . 4.63 111.054 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 388' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 387' ' ' PRO . 0.4 OUTLIER -156.96 -39.07 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 3.64 110.347 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.07 0.41 16.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 2.77 111.007 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 55.0 46.12 24.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 3.09 110.966 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -140.25 152.31 45.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 2.89 110.242 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 21.8 m -100.74 126.83 47.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.91 110.402 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -84.59 135.7 34.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 2.53 110.999 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -131.39 109.7 10.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 2.62 111.06 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 395' ' ' PHE . . . . . 0.492 ' CD2' HG21 ' A' ' 429' ' ' ILE . 20.4 m-85 -100.76 131.99 46.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 1.21 110.988 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 396' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 398' ' ' ASN . 86.3 t -132.95 86.86 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 1.48 109.298 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 62.77 -84.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 4.83 109.272 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 398' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 396' ' ' VAL . 4.5 m120 -129.58 44.51 2.96 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.475 1.11 . . . . 3.54 109.306 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.48 147.04 50.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 3.16 110.291 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 400' ' ' TYR . . . . . 0.53 ' CE1' ' HG3' ' A' ' 402' ' ' ARG . 0.6 OUTLIER -128.65 85.95 2.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 2.55 110.992 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -86.56 168.46 13.67 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.022 -1.103 . . . . 4.45 108.022 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 402' ' ' ARG . . . . . 0.53 ' HG3' ' CE1' ' A' ' 400' ' ' TYR . 3.7 mtm180 -154.11 111.15 3.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 3.17 110.279 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -90.11 130.01 36.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 4.96 111.012 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.51 123.16 27.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 2.36 109.261 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.44 -50.01 6.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 2.92 110.226 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -31.94 68.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 6.55 110.274 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.58 -29.14 13.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 2.86 110.274 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 67.12 43.41 2.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 3.4 110.254 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 2.0 tpt -145.47 126.68 14.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 2.03 111.029 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -67.27 135.48 53.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 3.08 111.004 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.79 133.33 86.54 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 2.38 109.271 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 412' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 413' ' ' GLY . 18.7 Cg_endo -74.97 118.62 5.33 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.803 . . . . 2.37 111.022 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 413' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 412' ' ' PRO . . . 41.92 94.37 0.01 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.491 1.12 . . . . 1.99 110.95 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 414' ' ' TYR . . . . . 0.546 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 1.8 t80 -135.62 63.2 52.61 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 2.08 110.992 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 415' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.5 Cg_endo -74.96 77.32 3.14 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.545 1.813 . . . . 1.71 111.003 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 416' ' ' LYS . . . . . 0.546 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 36.4 mmtt -96.61 173.26 7.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 2.53 109.263 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -114.88 140.43 48.98 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.474 1.108 . . . . 2.08 109.304 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 1.8 mp -70.07 -62.87 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.95 109.323 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 12.5 t -37.83 -39.51 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.437 1.085 . . . . 1.2 110.411 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -65.43 -65.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 1.5 109.347 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 421' ' ' ASN . . . . . 0.732 ' ND2' ' CE2' ' A' ' 422' ' ' PHE . 28.1 t30 -45.67 -35.3 4.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 2.29 109.362 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 422' ' ' PHE . . . . . 0.732 ' CE2' ' ND2' ' A' ' 421' ' ' ASN . 16.5 m-85 -150.89 117.75 5.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 2.8 110.999 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -93.55 119.52 32.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 2.16 110.341 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 149.64 -35.87 1.01 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.128 . . . . 1.94 111.065 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 425' ' ' ILE . . . . . 0.541 HD13 ' H ' ' A' ' 425' ' ' ILE . 0.2 OUTLIER -86.7 -24.82 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.437 0.728 . . . . 2.39 109.343 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 96.48 177.39 35.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.535 1.147 . . . . 1.03 110.966 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -9.35 20.8 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 1.36 111.064 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.03 132.5 46.25 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.505 1.128 . . . . 4.18 109.299 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 429' ' ' ILE . . . . . 0.495 ' CD1' ' O ' ' A' ' 431' ' ' ALA . 0.1 OUTLIER -127.16 140.77 48.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 2.14 109.217 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 430' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 430' ' ' ASP . 0.9 OUTLIER -80.21 -64.31 1.22 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.084 . . . . 3.32 109.338 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 431' ' ' ALA . . . . . 0.813 ' HA ' ' HB2' ' A' ' 382' ' ' ALA . . . -151.76 173.67 14.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.93 109.21 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.507 HG12 ' CB ' ' A' ' 382' ' ' ALA . 2.3 p -160.36 146.93 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 1.97 109.31 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 433' ' ' PHE . . . . . 0.645 ' CE1' ' CZ ' ' A' ' 443' ' ' PHE . 3.7 p90 -148.23 154.95 40.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 2.69 110.998 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 434' ' ' TYR . . . . . 0.557 ' CE2' ' HG3' ' A' ' 387' ' ' PRO . 63.7 t80 -121.09 89.06 3.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 3.47 110.996 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.81 -8.6 10.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.39 1.056 . . . . 2.58 110.012 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 436' ' ' LYS . . . . . 0.52 ' HD3' ' CD1' ' A' ' 441' ' ' TYR . 0.0 OUTLIER -69.69 -167.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 5.11 109.327 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -99.41 -37.01 9.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 3.64 109.333 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 438' ' ' LYS . . . . . 0.471 ' O ' ' CD1' ' A' ' 439' ' ' TYR . 0.6 OUTLIER -161.54 46.51 0.18 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 4.64 109.289 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 439' ' ' TYR . . . . . 0.471 ' CD1' ' O ' ' A' ' 438' ' ' LYS . 20.0 m-85 -144.81 163.34 34.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 3.18 110.972 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 440' ' ' TYR . . . . . 0.443 ' N ' ' CD1' ' A' ' 440' ' ' TYR . 10.1 m-85 -129.2 113.39 14.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 3.63 110.979 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 441' ' ' TYR . . . . . 0.52 ' CD1' ' HD3' ' A' ' 436' ' ' LYS . 7.2 m-85 -94.51 143.62 26.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 3.59 110.994 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 442' ' ' PHE . . . . . 0.409 ' CE1' HG21 ' A' ' 432' ' ' VAL . 97.9 m-85 -135.13 145.62 48.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 3.58 110.971 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 443' ' ' PHE . . . . . 0.645 ' CZ ' ' CE1' ' A' ' 433' ' ' PHE . 66.2 m-85 -111.03 112.86 24.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 4.56 110.995 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 444' ' ' GLN . . . . . 0.415 ' O ' ' ND2' ' A' ' 447' ' ' ASN . 36.6 tp60 -125.86 82.2 2.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 3.4 110.271 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 101.72 -95.59 1.36 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.139 . . . . 1.88 110.961 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 446' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 286' ' ' LEU . 8.8 p -141.65 44.13 1.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 0.73 . . . . 2.13 110.021 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 447' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 444' ' ' GLN . 7.8 p30 -144.61 141.76 29.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 2.61 109.256 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -129.97 71.8 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 4.57 110.282 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 449' ' ' PHE . . . . . 0.516 ' HB3' HG23 ' A' ' 461' ' ' THR . 3.8 p90 -79.26 174.12 11.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 4.63 111.021 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 0.477 ' HG3' ' CE1' ' A' ' 441' ' ' TYR . 40.2 tt0 -107.12 159.03 16.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 3.19 110.298 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 451' ' ' TYR . . . . . 0.404 ' N ' ' HG2' ' A' ' 450' ' ' GLU . 16.1 t80 -137.5 128.21 27.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 3.04 110.968 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 452' ' ' ASP . . . . . 0.4 ' CB ' ' HB2' ' A' ' 455' ' ' LEU . 75.5 m-20 -91.91 139.28 30.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.162 . . . . 3.57 109.321 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -88.29 -22.85 23.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.393 1.058 . . . . 3.49 111.023 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 19.5 tp -95.79 -2.05 48.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 3.59 109.231 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.509 ' HA ' HD23 ' A' ' 455' ' ' LEU . 4.7 mt -124.67 -42.67 2.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 3.49 109.31 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 456' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' ' 455' ' ' LEU . 23.5 mt-30 77.44 17.8 1.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 2.94 110.297 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.49 164.35 18.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 3.88 110.266 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 458' ' ' ILE . . . . . 0.456 ' CG2' ' HB2' ' A' ' 449' ' ' PHE . 44.3 mt -98.02 112.24 29.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 2.08 109.278 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 459' ' ' THR . . . . . 0.468 ' OG1' ' N ' ' A' ' 460' ' ' LYS . 39.0 p -69.96 -70.14 0.31 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 2.81 110.339 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 460' ' ' LYS . . . . . 0.468 ' N ' ' OG1' ' A' ' 459' ' ' THR . 0.2 OUTLIER -110.92 147.43 34.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 5.6 109.293 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 461' ' ' THR . . . . . 0.516 HG23 ' HB3' ' A' ' 449' ' ' PHE . 3.7 m -132.58 100.74 5.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 2.39 110.409 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 462' ' ' LEU . . . . . 0.484 ' CB ' ' HB3' ' A' ' 466' ' ' SER . 1.1 mm? -84.01 179.65 7.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 3.85 109.263 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 463' ' ' LYS . . . . . 0.421 ' C ' ' N ' ' A' ' 465' ' ' ASN . 0.0 OUTLIER -121.88 74.47 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 3.2 109.312 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 44.92 25.35 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 2.12 110.019 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 465' ' ' ASN . . . . . 0.421 ' N ' ' C ' ' A' ' 463' ' ' LYS . 9.3 m-80 -135.13 32.98 3.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 3.12 109.329 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 466' ' ' SER . . . . . 0.484 ' HB3' ' CB ' ' A' ' 462' ' ' LEU . 0.9 OUTLIER -100.15 33.44 2.63 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.15 . . . . 5.1 110.026 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 467' ' ' TRP . . . . . 0.564 ' O ' ' CG ' ' A' ' 468' ' ' PHE . 4.4 m95 177.08 56.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 5.41 108.025 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 468' ' ' PHE . . . . . 0.573 ' CE1' ' CZ3' ' A' ' 307' ' ' TRP . 86.3 m-85 -163.42 -41.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 6.84 110.934 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 109.74 67.45 0.58 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.457 1.098 . . . . 2.88 110.98 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 470' ' ' CYS . . . . . 1.058 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 1.1 m . . . . . 0 C--N 1.324 -0.519 0 N-CA-C 108.283 -1.006 . . . . 4.02 108.283 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 281' ' ' LEU . . . . . 0.505 HD11 ' HE1' ' A' ' 307' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.299 -0.63 . . . . 3.71 109.299 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 282' ' ' CYS . . . . . 0.998 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 0.5 OUTLIER 178.75 42.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 3.74 108.382 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.83 154.26 16.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 3.47 109.298 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 56.9 4.38 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.532 1.806 . . . . 2.59 111.073 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -165.11 55.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 3.19 109.244 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 10.8 tp -108.33 148.09 30.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 2.85 109.253 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 81.5 p -134.87 157.11 47.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 1.72 109.997 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -124.15 170.23 10.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 1.89 111.047 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.42 -56.71 2.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 2.26 109.261 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 290' ' ' ALA . . . . . 0.449 ' CB ' HG22 ' A' ' 332' ' ' ILE . . . -138.75 172.55 12.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.15 109.285 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 291' ' ' VAL . . . . . 0.75 HG22 ' HB1' ' A' ' 431' ' ' ALA . 8.5 m -152.65 137.71 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 2.27 109.266 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 292' ' ' THR . . . . . 0.414 ' HB ' ' CB ' ' A' ' 335' ' ' ALA . 0.6 OUTLIER -131.65 151.29 51.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 1.53 110.297 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 15.8 p -130.78 106.53 8.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 3.68 110.363 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 98.7 t -121.81 84.93 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 2.36 109.291 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 85.0 -120.03 5.19 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 1.91 111.011 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 296' ' ' ASN . . . . . 0.677 ' O ' HG21 ' A' ' 310' ' ' VAL . 16.2 p-10 -108.01 11.3 27.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 0.756 . . . . 4.48 109.279 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.41 145.79 31.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 2.64 109.287 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 298' ' ' ILE . . . . . 0.599 HD12 ' HZ ' ' A' ' 300' ' ' PHE . 10.6 pt -132.44 151.52 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 1.96 109.321 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 299' ' ' PHE . . . . . 0.713 ' CE2' HD23 ' A' ' 308' ' ' LEU . 33.9 m-85 -141.91 150.16 41.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 2.34 110.97 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 300' ' ' PHE . . . . . 0.599 ' HZ ' HD12 ' A' ' 298' ' ' ILE . 0.4 OUTLIER -143.39 104.66 4.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 2.77 111.004 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 301' ' ' PHE . . . . . 0.668 ' CD1' HD13 ' A' ' 332' ' ' ILE . 41.5 m-85 -81.68 155.86 25.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 2.32 110.995 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 302' ' ' LYS . . . . . 0.443 ' HB2' ' CZ3' ' A' ' 307' ' ' TRP . 0.0 OUTLIER -127.06 -53.55 1.4 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 4.38 109.253 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 303' ' ' ASP . . . . . 0.435 ' O ' ' HB2' ' A' ' 304' ' ' ARG . 19.5 t70 -165.3 79.76 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 4.75 109.292 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 304' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 303' ' ' ASP . 2.8 mmt-85 80.45 -10.27 1.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 6.52 110.35 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 305' ' ' PHE . . . . . 0.536 ' CD2' HG12 ' A' ' 318' ' ' VAL . 8.5 m-85 -104.73 153.12 21.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 2.81 110.966 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 306' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -121.05 146.41 46.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 2.14 110.968 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 307' ' ' TRP . . . . . 0.576 ' CH2' HG13 ' A' ' 318' ' ' VAL . 1.3 m-90 -102.75 137.29 41.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 5.11 107.975 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 308' ' ' LEU . . . . . 0.713 HD23 ' CE2' ' A' ' 299' ' ' PHE . 1.1 tm? -137.37 105.08 5.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 2.32 109.246 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 309' ' ' LYS . . . . . 0.599 ' C ' HG12 ' A' ' 310' ' ' VAL . 0.8 OUTLIER -153.23 105.22 2.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 2.8 109.273 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 310' ' ' VAL . . . . . 0.677 HG21 ' O ' ' A' ' 296' ' ' ASN . 0.2 OUTLIER 177.81 -72.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 2.51 109.327 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 311' ' ' SER . . . . . 0.535 ' H ' HG13 ' A' ' 310' ' ' VAL . 33.2 p -37.33 -82.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 6.45 110.062 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -145.73 66.08 1.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 7.16 110.298 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 313' ' ' ARG . . . . . 0.556 ' HD3' HD12 ' A' ' 308' ' ' LEU . 0.0 OUTLIER -127.48 128.78 23.94 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 4.97 110.266 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -37.16 2.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 2.61 110.946 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 19.6 ttmt -139.88 163.95 31.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 4.03 109.322 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 23.5 p -75.47 136.86 40.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 1.47 110.409 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.94 128.84 55.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 2.4 109.995 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 318' ' ' VAL . . . . . 0.576 HG13 ' CH2' ' A' ' 307' ' ' TRP . 38.1 t -96.26 73.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 2.11 109.282 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 319' ' ' ASN . . . . . 0.52 ' O ' ' CD2' ' A' ' 305' ' ' PHE . 2.0 m120 -96.76 179.64 4.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 2.43 109.309 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 321' ' ' ILE . 10.3 tp -93.19 152.01 19.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.076 . . . . 2.18 109.263 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 321' ' ' ILE . . . . . 0.407 ' N ' ' HG ' ' A' ' 320' ' ' LEU . 42.4 mt -67.36 -62.23 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 1.07 109.286 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.61 -26.86 0.67 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 3.07 109.985 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.51 -41.66 61.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 1.5 109.95 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.48 -76.29 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.594 1.184 . . . . 2.07 109.256 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -48.79 153.04 1.54 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 1.75 108.05 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 326' ' ' PRO . . . . . 0.475 ' HG2' ' CG ' ' A' ' 360' ' ' PRO . 18.4 Cg_endo -75.0 -79.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.475 1.776 . . . . 1.26 110.996 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 327' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.0 96.52 4.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.42 1.075 . . . . 1.56 110.422 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -113.03 161.72 25.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 1.32 109.338 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -3.93 14.65 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.783 . . . . 2.75 111.006 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 330' ' ' SER . . . . . 0.565 ' O ' ' C ' ' A' ' 331' ' ' GLY . 0.9 OUTLIER 53.04 -162.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 2.71 109.961 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 331' ' ' GLY . . . . . 0.565 ' C ' ' O ' ' A' ' 330' ' ' SER . . . 21.54 61.91 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.519 1.137 . . . . 1.33 110.976 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.668 HD13 ' CD1' ' A' ' 301' ' ' PHE . 4.1 mp -65.61 113.76 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 2.14 109.268 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 333' ' ' GLU . . . . . 0.432 ' C ' ' HB2' ' A' ' 290' ' ' ALA . 73.1 mm-40 -81.92 -34.8 29.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 3.77 110.315 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -156.63 129.54 7.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 1.37 109.252 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 335' ' ' ALA . . . . . 0.414 ' CB ' ' HB ' ' A' ' 292' ' ' THR . . . -109.33 149.99 28.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.08 109.273 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 336' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -140.39 160.0 40.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 3.63 110.989 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -134.44 136.39 43.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 4.79 110.23 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 338' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 340' ' ' ALA . 0.5 OUTLIER -107.91 84.69 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 4.22 109.327 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -67.13 73.19 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 4.47 110.299 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 340' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 338' ' ' ILE . . . -156.52 -55.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 2.7 109.35 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -112.91 10.11 18.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 4.67 110.317 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 56.59 75.64 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 2.84 109.353 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 343' ' ' GLN . . . . . 0.414 ' OE1' ' CE1' ' A' ' 345' ' ' PHE . 1.1 mt-30 -131.53 173.7 10.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 3.56 110.314 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 344' ' ' VAL . . . . . . . . . . . . . 89.8 t -142.85 139.67 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 1.3 109.367 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 345' ' ' PHE . . . . . 0.414 ' CE1' ' OE1' ' A' ' 343' ' ' GLN . 44.0 m-85 -131.68 137.32 48.25 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.542 1.151 . . . . 2.61 111.036 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.442 HD12 HG21 ' A' ' 332' ' ' ILE . 2.6 mm? -123.11 120.86 34.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 1.68 109.305 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 347' ' ' PHE . . . . . 0.616 ' CG ' HD12 ' A' ' 380' ' ' ILE . 16.5 m-85 -87.67 138.19 31.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 2.91 110.999 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 348' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.81 112.92 2.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 3.26 109.334 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 3.2 t0 53.75 -151.0 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 3.08 109.27 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 350' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 350' ' ' ASP . 2.5 p-10 -87.13 43.98 1.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 3.64 109.324 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -151.31 149.41 29.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 1.65 109.271 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 352' ' ' TYR . . . . . 0.575 ' CD1' ' C ' ' A' ' 352' ' ' TYR . 1.0 OUTLIER -130.49 154.31 47.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 3.74 111.009 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -121.43 147.25 45.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.558 1.161 . . . . 5.9 107.984 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 354' ' ' LEU . . . . . 0.825 HD12 ' N ' ' A' ' 355' ' ' ILE . 1.8 tp -114.33 138.02 51.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.568 1.168 . . . . 1.74 109.251 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.825 ' N ' HD12 ' A' ' 354' ' ' LEU . 2.0 mp -132.34 103.43 6.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 1.44 109.319 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 33.0 t -111.36 136.11 50.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 2.37 109.986 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 7.8 m120 58.08 44.98 18.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 3.1 109.306 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 53.45 36.71 23.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 3.32 109.32 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.7 129.29 6.46 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 3.38 110.28 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 360' ' ' PRO . . . . . 0.475 ' CG ' ' HG2' ' A' ' 326' ' ' PRO . 18.4 Cg_endo -75.07 167.24 27.42 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.544 1.812 . . . . 1.77 111.003 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -76.49 159.86 78.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 2.89 110.197 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 362' ' ' PRO . . . . . 0.56 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.0 Cg_endo -75.17 56.83 4.48 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.473 1.775 . . . . 1.87 110.98 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 363' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 5.6 m-20 86.75 96.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 5.28 109.371 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 364' ' ' TYR . . . . . 0.555 ' CD2' ' HE3' ' A' ' 366' ' ' LYS . 0.1 OUTLIER -127.99 64.82 66.94 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.375 1.047 . . . . 3.07 111.005 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 365' ' ' PRO . . . . . 0.442 ' HD3' ' C ' ' A' ' 363' ' ' ASN . 18.3 Cg_endo -74.98 54.33 3.6 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.472 1.775 . . . . 1.76 110.983 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 366' ' ' LYS . . . . . 0.555 ' HE3' ' CD2' ' A' ' 364' ' ' TYR . 0.1 OUTLIER -84.48 179.28 7.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.098 . . . . 2.41 109.284 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 5.0 m -136.15 132.77 36.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 2.35 109.967 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 368' ' ' ILE . . . . . 0.428 HG23 ' HB3' ' A' ' 352' ' ' TYR . 39.0 pt -57.23 -25.19 22.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 2.11 109.254 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -69.55 -26.57 64.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 3.67 109.662 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.6 -9.85 39.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 2.64 110.009 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -153.5 39.51 0.5 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.49 1.119 . . . . 6.88 111.051 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 372' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -145.25 -67.11 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.498 1.124 . . . . 2.93 111.011 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 373' ' ' PHE . . . . . 0.456 ' N ' ' HD3' ' A' ' 374' ' ' PRO . 1.3 t80 35.57 60.68 2.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.528 0.781 . . . . 5.83 110.968 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 374' ' ' PRO . . . . . 0.659 ' HG2' HG13 ' A' ' 377' ' ' VAL . 18.5 Cg_endo -74.87 -88.01 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.553 1.818 . . . . 3.5 110.973 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -135.95 -46.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 6.59 109.227 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -171.32 84.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 4.7 111.045 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 377' ' ' VAL . . . . . 0.659 HG13 ' HG2' ' A' ' 374' ' ' PRO . 11.4 m -109.03 169.19 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 2.71 109.284 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.84 -34.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 2.9 109.254 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.91 126.09 16.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 1.73 109.265 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 380' ' ' ILE . . . . . 0.616 HD12 ' CG ' ' A' ' 347' ' ' PHE . 38.9 mt -98.22 141.86 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 1.16 109.271 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -87.02 -48.46 8.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 2.1 109.377 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 382' ' ' ALA . . . . . 0.55 ' CB ' HG12 ' A' ' 432' ' ' VAL . . . -158.6 169.74 23.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.75 109.27 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -160.11 128.02 4.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.586 1.179 . . . . 0.8 109.254 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 384' ' ' VAL . . . . . 0.43 HG22 ' N ' ' A' ' 385' ' ' PHE . 8.7 p -130.48 166.55 27.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 2.18 109.285 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 385' ' ' PHE . . . . . 0.43 ' N ' HG22 ' A' ' 384' ' ' VAL . 31.6 t80 -117.19 131.72 56.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 1.81 110.945 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -93.51 121.56 64.64 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 2.55 109.318 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -43.65 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.538 1.81 . . . . 2.4 111.004 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.2 44.43 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 2.52 110.259 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 389' ' ' PHE . . . . . 0.565 ' C ' ' CG ' ' A' ' 390' ' ' TYR . 0.1 OUTLIER -172.69 -37.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.588 1.18 . . . . 3.14 111.065 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 390' ' ' TYR . . . . . 0.565 ' CG ' ' C ' ' A' ' 389' ' ' PHE . 3.0 m-85 72.33 39.79 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 2.35 110.964 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -132.1 145.8 51.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 2.81 110.355 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 29.5 m -102.47 114.17 28.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.8 110.419 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 393' ' ' TYR . . . . . 0.406 ' CE2' ' OH ' ' A' ' 400' ' ' TYR . 13.0 m-85 -79.66 117.08 20.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 2.17 110.96 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -102.4 127.69 49.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 2.1 111.057 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 395' ' ' PHE . . . . . 0.423 ' HE2' HG23 ' A' ' 418' ' ' ILE . 53.1 m-85 -106.07 113.9 27.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 1.08 110.909 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 93.6 t -134.8 122.64 38.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.147 . . . . 1.73 109.329 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 52.8 -151.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.406 1.066 . . . . 3.64 109.224 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -87.72 49.21 1.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 3.46 109.271 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -148.06 163.16 37.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 3.32 110.27 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 400' ' ' TYR . . . . . 0.545 ' C ' ' CD1' ' A' ' 400' ' ' TYR . 0.1 OUTLIER -132.27 120.13 21.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 2.23 111.001 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 6.0 m-90 -113.2 164.52 13.42 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.933 -1.136 . . . . 4.99 107.933 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -146.51 126.99 14.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 3.0 110.355 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -101.09 147.26 26.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 6.33 110.969 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.51 127.52 39.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 1.82 109.362 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.52 -50.59 4.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 3.54 110.32 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -65.03 -28.97 69.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 6.78 110.242 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 407' ' ' ARG . . . . . 0.428 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 1.5 mmt85 -91.7 -44.67 8.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 3.02 110.242 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 408' ' ' GLN . . . . . 0.428 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 14.8 tt0 81.0 39.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.085 . . . . 2.83 110.334 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 4.5 tpt -144.69 111.16 5.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 3.28 110.949 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.0 139.21 54.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 4.84 110.952 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -94.33 112.09 56.18 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 3.94 109.277 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -55.82 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.468 1.773 . . . . 4.82 111.008 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . -74.16 64.16 2.04 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.501 1.125 . . . . 2.22 111.039 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 414' ' ' TYR . . . . . 0.553 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 1.9 t80 -136.29 61.67 40.18 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.431 0.724 . . . . 2.37 111.024 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 415' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -74.95 67.87 5.81 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.54 1.811 . . . . 1.62 111.002 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 416' ' ' LYS . . . . . 0.553 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 18.0 mmtt -87.66 173.51 8.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 2.56 109.333 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.98 153.86 39.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 1.93 109.332 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 418' ' ' ILE . . . . . 0.727 HD13 ' O ' ' A' ' 427' ' ' PRO . 4.4 mp -69.95 -51.78 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.594 1.184 . . . . 1.29 109.293 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 17.2 m -57.28 -49.17 76.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 2.65 110.439 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -50.24 -66.17 0.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 2.67 109.3 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 421' ' ' ASN . . . . . 0.508 ' OD1' ' CE2' ' A' ' 422' ' ' PHE . 11.4 t-20 -42.01 -53.51 3.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 2.61 109.284 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 422' ' ' PHE . . . . . 0.553 ' HB3' ' CE2' ' A' ' 451' ' ' TYR . 51.1 m-85 -131.67 99.64 4.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 2.75 111.01 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -78.7 110.75 14.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 2.42 110.25 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 424' ' ' GLY . . . . . 0.49 ' HA3' ' CD1' ' A' ' 458' ' ' ILE . . . 131.6 41.76 0.2 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.558 1.161 . . . . 2.65 110.946 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 425' ' ' ILE . . . . . 0.441 ' CD1' ' HB2' ' A' ' 422' ' ' PHE . 1.4 pt -147.16 -58.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.583 0.814 . . . . 2.28 109.304 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 143.5 164.32 10.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.434 1.084 . . . . 1.14 110.972 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 427' ' ' PRO . . . . . 0.727 ' O ' HD13 ' A' ' 418' ' ' ILE . 18.2 Cg_endo -75.05 -24.49 12.69 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.45 1.763 . . . . 1.19 110.983 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.7 141.35 48.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 2.5 109.29 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 429' ' ' ILE . . . . . 0.53 HD12 ' HD1' ' A' ' 442' ' ' PHE . 1.5 mm -134.17 141.27 44.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 2.1 109.272 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.99 -71.06 0.71 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 2.31 109.307 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 431' ' ' ALA . . . . . 0.75 ' HB1' HG22 ' A' ' 291' ' ' VAL . . . -123.7 144.21 49.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 1.26 109.36 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.966 HG21 ' CE1' ' A' ' 442' ' ' PHE . 2.5 p -160.07 108.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 2.13 109.308 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -118.26 166.95 12.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 2.51 111.015 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 434' ' ' TYR . . . . . 0.428 ' O ' ' CD2' ' A' ' 434' ' ' TYR . 90.2 t80 -127.33 79.11 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 3.36 111.02 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.72 -18.67 13.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 2.19 109.964 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 436' ' ' LYS . . . . . 0.561 ' HE3' ' CE2' ' A' ' 441' ' ' TYR . 31.9 mmtt -71.3 -152.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 5.39 109.306 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 437' ' ' ASN . . . . . 0.45 ' O ' ' CD2' ' A' ' 439' ' ' TYR . 21.5 t-20 -123.25 114.91 20.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 4.77 109.268 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.96 29.48 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.074 . . . . 3.04 109.319 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 439' ' ' TYR . . . . . 0.45 ' CD2' ' O ' ' A' ' 437' ' ' ASN . 11.8 m-85 -131.04 144.76 51.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 2.21 111.0 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -118.87 127.86 53.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 3.33 110.968 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 441' ' ' TYR . . . . . 0.561 ' CE2' ' HE3' ' A' ' 436' ' ' LYS . 3.4 m-30 -105.53 127.1 52.83 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.452 1.095 . . . . 2.73 111.021 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 442' ' ' PHE . . . . . 0.966 ' CE1' HG21 ' A' ' 432' ' ' VAL . 24.9 m-85 -124.12 140.42 52.98 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.122 . . . . 3.24 111.06 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 443' ' ' PHE . . . . . 0.552 ' CD1' ' C ' ' A' ' 443' ' ' PHE . 0.1 OUTLIER -142.18 141.01 32.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 5.43 110.986 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -152.39 69.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 4.19 110.314 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 137.67 -89.7 0.21 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.539 1.149 . . . . 1.77 111.024 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 3.8 t -150.58 40.22 0.75 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.546 0.792 . . . . 2.03 109.959 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -148.45 142.85 26.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 2.07 109.284 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -121.37 97.06 5.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 3.2 110.297 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -87.23 151.62 23.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 2.9 110.957 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 0.401 ' HG2' ' N ' ' A' ' 451' ' ' TYR . 20.3 tt0 -117.56 143.65 45.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 3.43 110.27 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 451' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 422' ' ' PHE . 1.2 t80 -121.63 113.19 19.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 2.97 111.008 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -97.21 106.63 19.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 3.48 109.377 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -55.47 -17.09 4.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 3.34 110.966 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 41.9 tp -41.3 -44.49 2.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 2.33 109.271 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -164.92 30.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 2.44 109.352 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 456' ' ' GLN . . . . . 0.47 ' HA ' ' CE1' ' A' ' 451' ' ' TYR . 3.4 mt-30 45.7 75.78 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 2.81 110.302 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -136.82 121.42 18.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 4.83 110.346 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 458' ' ' ILE . . . . . 0.49 ' CD1' ' HA3' ' A' ' 424' ' ' GLY . 3.0 mp -91.83 88.2 2.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 2.53 109.304 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 9.5 t -113.25 44.4 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 4.14 110.363 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.46 116.71 2.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 3.95 109.31 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 54.8 m -138.86 79.71 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 2.51 110.392 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -97.18 161.3 13.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 2.13 109.316 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.75 146.51 24.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 3.14 109.359 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 24.5 p -40.44 -42.51 1.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 1.97 109.997 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -99.34 72.99 1.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.402 1.064 . . . . 2.91 109.364 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 4.2 t -120.37 -7.2 9.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 2.55 109.979 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 467' ' ' TRP . . . . . 0.424 ' O ' ' C ' ' A' ' 468' ' ' PHE . 9.6 m95 -122.05 -70.18 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 4.37 108.025 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 468' ' ' PHE . . . . . 0.424 ' C ' ' O ' ' A' ' 467' ' ' TRP . 18.4 m-85 -35.84 -50.6 0.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 7.97 110.932 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 469' ' ' GLY . . . . . 0.416 ' O ' ' SG ' ' A' ' 470' ' ' CYS . . . 104.58 51.83 0.89 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.512 1.132 . . . . 3.25 110.985 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 470' ' ' CYS . . . . . 0.998 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 1.5 p . . . . . 0 C--N 1.324 -0.506 0 N-CA-C 108.265 -1.013 . . . . 7.87 108.265 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 281' ' ' LEU . . . . . 0.423 ' HA ' HD23 ' A' ' 281' ' ' LEU . 11.4 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.314 -0.625 . . . . 2.86 109.314 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 282' ' ' CYS . . . . . 1.055 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 0.1 OUTLIER -171.79 -60.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 4.11 108.241 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 283' ' ' ASP . . . . . 0.437 ' O ' ' ND2' ' A' ' 285' ' ' ASN . 0.9 OUTLIER -69.14 146.88 97.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 3.69 109.29 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 84.68 1.62 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.562 1.822 . . . . 1.62 111.032 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 285' ' ' ASN . . . . . 0.495 ' N ' ' ND2' ' A' ' 285' ' ' ASN . 0.1 OUTLIER -167.19 32.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 2.89 109.289 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 286' ' ' LEU . . . . . 0.588 HD13 ' N ' ' A' ' 287' ' ' SER . 3.1 tm? -106.53 139.26 41.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 3.7 109.297 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 287' ' ' SER . . . . . 0.588 ' N ' HD13 ' A' ' 286' ' ' LEU . 2.2 p -123.26 153.33 40.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 1.57 109.971 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 288' ' ' PHE . . . . . 0.543 ' CE2' ' CE2' ' A' ' 443' ' ' PHE . 18.5 m-85 -112.88 171.43 7.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 2.44 111.022 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -145.23 -57.1 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 4.09 109.274 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -126.51 122.02 33.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 1.34 109.264 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 291' ' ' VAL . . . . . 0.534 HG13 ' CE1' ' A' ' 300' ' ' PHE . 63.2 t -131.21 134.25 61.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 2.06 109.333 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 10.1 t -151.23 168.87 23.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 1.21 110.352 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 293' ' ' THR . . . . . 0.62 HG21 ' CB ' ' A' ' 435' ' ' SER . 22.7 p -122.64 166.66 14.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 2.56 110.444 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 294' ' ' VAL . . . . . 0.552 ' O ' HG12 ' A' ' 294' ' ' VAL . 87.6 t -146.33 61.53 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.587 1.179 . . . . 1.93 109.346 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 295' ' ' GLY . . . . . 0.475 ' O ' ' CB ' ' A' ' 296' ' ' ASN . . . 64.73 71.54 0.85 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.544 1.152 . . . . 3.07 110.97 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 296' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 295' ' ' GLY . 1.9 t30 80.05 -2.93 1.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 3.66 109.292 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.616 ' HA ' HG23 ' A' ' 310' ' ' VAL . 3.5 mtpp -103.53 162.0 13.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 2.75 109.34 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 298' ' ' ILE . . . . . 0.613 HG21 ' CZ ' ' A' ' 300' ' ' PHE . 5.2 mt -140.2 157.01 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 2.23 109.364 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 299' ' ' PHE . . . . . 0.849 ' CD1' HD23 ' A' ' 308' ' ' LEU . 63.2 m-85 -151.37 114.21 4.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 2.2 110.99 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 300' ' ' PHE . . . . . 0.613 ' CZ ' HG21 ' A' ' 298' ' ' ILE . 21.8 m-85 -110.45 152.62 26.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 2.76 111.001 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 301' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 301' ' ' PHE . 4.8 m-85 -136.96 163.58 30.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 3.18 110.993 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 302' ' ' LYS . . . . . 0.495 ' HG3' ' CH2' ' A' ' 307' ' ' TRP . 0.9 OUTLIER -147.14 96.4 2.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 2.89 109.32 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.21 -82.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.417 1.073 . . . . 3.41 109.286 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.3 -12.81 7.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 6.22 110.303 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 305' ' ' PHE . . . . . 0.404 ' CE1' HG12 ' A' ' 318' ' ' VAL . 0.1 OUTLIER -81.4 130.76 35.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 3.66 111.054 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 306' ' ' PHE . . . . . 0.537 ' CD2' ' ND2' ' A' ' 319' ' ' ASN . 0.9 OUTLIER -112.37 106.55 15.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 3.77 110.952 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 307' ' ' TRP . . . . . 0.495 ' CH2' ' HG3' ' A' ' 302' ' ' LYS . 26.2 m0 -95.99 169.9 9.66 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.973 -1.121 . . . . 3.74 107.973 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 308' ' ' LEU . . . . . 0.849 HD23 ' CD1' ' A' ' 299' ' ' PHE . 2.2 tm? -149.97 129.39 12.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 1.87 109.353 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 309' ' ' LYS . . . . . 0.455 ' HG2' HG22 ' A' ' 316' ' ' THR . 4.7 tmtt? -139.19 128.18 23.69 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 3.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 310' ' ' VAL . . . . . 0.648 HG22 ' H ' ' A' ' 311' ' ' SER . 5.3 p -153.98 176.56 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 2.62 109.271 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 311' ' ' SER . . . . . 0.648 ' H ' HG22 ' A' ' 310' ' ' VAL . 46.8 t 35.97 -153.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 4.4 110.005 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 312' ' ' GLU . . . . . 0.537 ' O ' ' C ' ' A' ' 313' ' ' ARG . 5.3 pt-20 -90.95 13.93 15.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 6.32 110.249 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 313' ' ' ARG . . . . . 0.537 ' C ' ' O ' ' A' ' 312' ' ' GLU . 0.1 OUTLIER -27.56 120.53 0.25 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 4.98 110.284 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 2.47 6.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.452 1.764 . . . . 3.04 110.969 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -162.11 160.44 27.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 3.51 109.309 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 316' ' ' THR . . . . . 0.455 HG22 ' HG2' ' A' ' 309' ' ' LYS . 7.1 p -107.41 151.57 25.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 1.57 110.438 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 22.8 t -83.69 160.34 21.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 2.62 110.03 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 318' ' ' VAL . . . . . 0.404 HG12 ' CE1' ' A' ' 305' ' ' PHE . 5.6 t -131.48 79.14 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 2.96 109.305 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 319' ' ' ASN . . . . . 0.537 ' ND2' ' CD2' ' A' ' 306' ' ' PHE . 4.4 p-10 -111.49 -176.89 3.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 5.01 109.27 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.06 160.21 24.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 2.06 109.27 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 321' ' ' ILE . . . . . 0.505 HG22 ' N ' ' A' ' 322' ' ' SER . 1.9 mp -59.44 -81.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 1.42 109.307 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 322' ' ' SER . . . . . 0.505 ' N ' HG22 ' A' ' 321' ' ' ILE . 9.4 p -41.86 -34.92 0.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 2.02 109.952 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 323' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 322' ' ' SER . 0.1 OUTLIER -37.28 -46.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 1.36 110.02 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 1.9 mp -107.43 -66.75 1.0 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.433 1.083 . . . . 1.77 109.283 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 325' ' ' TRP . . . . . 0.802 ' HB3' HD23 ' A' ' 328' ' ' LEU . 0.9 OUTLIER -52.13 144.57 20.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 1.74 108.057 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -88.65 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.518 1.799 . . . . 1.1 110.954 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 327' ' ' THR . . . . . 0.782 ' O ' HD22 ' A' ' 328' ' ' LEU . 3.3 t -101.2 95.3 6.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.168 . . . . 1.64 110.412 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 328' ' ' LEU . . . . . 0.803 HD21 ' HG3' ' A' ' 360' ' ' PRO . 3.6 mm? -141.46 144.08 32.39 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 1.82 109.3 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 329' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 328' ' ' LEU . 18.2 Cg_endo -75.04 162.65 36.69 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.592 1.838 . . . . 1.81 111.044 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 3.2 p -102.42 144.49 30.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.624 1.203 . . . . 3.06 109.979 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 73.55 60.69 3.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.457 1.098 . . . . 1.23 111.054 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.533 HD13 HD22 ' A' ' 346' ' ' LEU . 25.8 mt -53.25 139.2 11.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 1.73 109.306 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -82.3 -51.56 7.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.073 . . . . 2.54 110.286 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -144.73 115.32 7.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.8 109.297 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -104.25 124.42 49.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 1.03 109.328 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 336' ' ' TYR . . . . . 0.63 ' CZ ' ' CB ' ' A' ' 345' ' ' PHE . 23.4 p90 -136.76 -179.81 5.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.441 1.088 . . . . 4.49 110.982 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.75 152.92 47.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 3.85 110.275 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 338' ' ' ILE . . . . . 0.701 HD12 ' CE1' ' A' ' 345' ' ' PHE . 98.1 mt -112.32 88.49 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 4.68 109.307 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.17 66.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 3.64 110.355 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 340' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 338' ' ' ILE . . . -139.42 -68.37 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 2.29 109.31 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -110.4 16.3 21.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 3.4 110.291 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 4.3 t30 59.91 80.57 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 2.42 109.298 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -131.82 174.65 9.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 3.76 110.301 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 344' ' ' VAL . . . . . 0.471 ' O ' ' CD1' ' A' ' 345' ' ' PHE . 74.3 t -139.56 154.73 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 1.24 109.313 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 345' ' ' PHE . . . . . 0.701 ' CE1' HD12 ' A' ' 338' ' ' ILE . 52.8 m-85 -153.26 140.84 19.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 2.87 110.945 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.533 HD22 HD13 ' A' ' 332' ' ' ILE . 9.1 mt -133.08 109.06 9.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 2.88 109.279 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 347' ' ' PHE . . . . . 0.515 ' CE2' ' CE1' ' A' ' 336' ' ' TYR . 13.4 m-85 -80.71 145.97 31.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 2.38 110.979 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 348' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.0 OUTLIER -163.51 121.31 1.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.421 1.076 . . . . 3.17 109.29 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.8 t0 55.15 -151.84 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 3.12 109.298 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 350' ' ' ASP . . . . . 0.437 ' O ' ' CG ' ' A' ' 350' ' ' ASP . 2.1 p-10 -86.09 41.77 0.94 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.461 1.101 . . . . 2.7 109.312 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 19.7 mtmt -155.37 150.09 26.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 1.59 109.285 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 352' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 366' ' ' LYS . 51.0 p90 -145.5 125.65 13.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.401 1.063 . . . . 2.75 110.988 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -90.45 155.75 18.7 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.941 -1.133 . . . . 4.02 107.941 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 354' ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' ' 355' ' ' ILE . 0.1 OUTLIER -117.9 126.66 52.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 1.79 109.244 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.456 ' N ' HD12 ' A' ' 354' ' ' LEU . 1.2 mp -96.44 98.9 8.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 1.52 109.294 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 45.6 t -100.71 118.82 37.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 1.88 110.03 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 60.29 45.97 10.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.097 . . . . 3.66 109.247 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.66 33.76 23.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 2.91 109.267 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.81 116.57 5.32 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 4.69 110.278 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 360' ' ' PRO . . . . . 0.803 ' HG3' HD21 ' A' ' 328' ' ' LEU . 18.4 Cg_endo -74.94 108.06 2.63 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.433 1.754 . . . . 1.93 111.084 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 361' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 360' ' ' PRO . 21.6 mm-40 -38.36 123.01 1.11 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 2.42 110.377 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 135.38 19.05 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.532 1.806 . . . . 2.05 111.022 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 363' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 64.67 60.76 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 3.97 109.319 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 364' ' ' TYR . . . . . 0.564 ' CD2' ' HD2' ' A' ' 366' ' ' LYS . 0.1 OUTLIER -134.46 59.05 33.85 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 3.01 111.045 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 365' ' ' PRO . . . . . 0.488 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -75.06 51.96 2.95 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.516 1.798 . . . . 1.34 110.996 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 366' ' ' LYS . . . . . 0.567 ' HB3' ' CE1' ' A' ' 352' ' ' TYR . 0.1 OUTLIER -57.28 158.3 5.56 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 1.6 109.31 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 2.0 m -135.96 130.68 34.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 1.75 110.0 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 368' ' ' ILE . . . . . 0.688 ' CD1' HG21 ' A' ' 377' ' ' VAL . 43.9 pt -54.16 -32.57 23.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.407 1.067 . . . . 1.66 109.273 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -67.57 -33.26 74.67 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.535 1.147 . . . . 2.75 109.542 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 370' ' ' SER . . . . . 0.505 ' O ' ' CG ' ' A' ' 371' ' ' PHE . 0.1 OUTLIER -56.43 -17.27 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 2.34 109.987 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 371' ' ' PHE . . . . . 0.505 ' CG ' ' O ' ' A' ' 370' ' ' SER . 88.5 m-85 -162.91 53.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 7.05 110.959 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . -151.38 -59.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.517 1.136 . . . . 3.02 111.049 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 373' ' ' PHE . . . . . 0.44 ' N ' ' HD3' ' A' ' 374' ' ' PRO . 2.1 t80 49.4 61.48 13.82 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.496 0.762 . . . . 7.22 110.927 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 374' ' ' PRO . . . . . 0.44 ' HD3' ' N ' ' A' ' 373' ' ' PHE . 18.0 Cg_endo -74.96 -163.14 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.485 1.782 . . . . 2.23 111.055 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -85.2 -45.74 11.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 6.4 109.298 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -168.99 83.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 4.68 111.03 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 377' ' ' VAL . . . . . 0.688 HG21 ' CD1' ' A' ' 368' ' ' ILE . 7.1 p -94.61 168.4 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 2.44 109.287 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 378' ' ' LYS . . . . . 0.454 ' HG2' ' N ' ' A' ' 379' ' ' LYS . 0.0 OUTLIER -178.22 -35.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.148 . . . . 6.14 109.362 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 379' ' ' LYS . . . . . 0.454 ' N ' ' HG2' ' A' ' 378' ' ' LYS . 0.0 OUTLIER -159.01 134.36 8.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 2.04 109.372 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 17.6 mt -91.71 139.51 17.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 1.14 109.273 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.74 -53.32 6.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 2.04 109.315 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 382' ' ' ALA . . . . . 0.768 ' HB1' HG22 ' A' ' 432' ' ' VAL . . . -159.2 166.88 30.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.8 109.312 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -156.26 125.46 6.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.86 109.319 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 384' ' ' VAL . . . . . 0.68 ' HB ' HG23 ' A' ' 432' ' ' VAL . 12.1 p -126.94 154.29 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 2.17 109.339 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -114.39 117.9 32.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 2.7 110.936 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -97.49 117.6 65.26 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 3.15 109.304 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.12 -20.39 16.68 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.5 1.79 . . . . 2.2 110.953 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -38.17 36.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.472 1.108 . . . . 3.04 110.292 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.08 -6.53 28.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.068 . . . . 3.16 110.936 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 47.61 43.0 15.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 4.93 110.993 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 391' ' ' ARG . . . . . 0.461 ' CZ ' ' OD1' ' A' ' 404' ' ' ASP . 12.4 mtt180 -144.79 154.31 42.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 3.03 110.322 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 86.0 m -110.12 118.61 36.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 1.24 110.397 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -83.33 123.76 29.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 2.72 111.056 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -110.11 133.71 52.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 2.29 111.026 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 395' ' ' PHE . . . . . 0.711 ' HE2' HG21 ' A' ' 432' ' ' VAL . 65.7 m-85 -114.36 129.7 56.66 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.56 1.163 . . . . 1.17 111.073 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 96.5 t -118.32 87.74 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 1.72 109.314 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.84 -70.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 4.44 109.29 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -148.53 58.29 1.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 3.74 109.262 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -144.46 157.29 44.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 3.62 110.304 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 400' ' ' TYR . . . . . 0.416 ' O ' ' CG ' ' A' ' 400' ' ' TYR . 21.7 t80 -122.87 87.31 2.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 2.26 111.036 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 401' ' ' TRP . . . . . 0.573 ' CH2' ' O ' ' A' ' 411' ' ' ASP . 0.0 OUTLIER -82.76 166.91 18.66 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.996 -1.113 . . . . 6.16 107.996 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -155.22 110.21 3.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.403 1.064 . . . . 2.67 110.33 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 403' ' ' TYR . . . . . 0.535 ' CE1' ' O ' ' A' ' 404' ' ' ASP . 3.4 t80 -100.51 142.66 31.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 6.3 111.018 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 404' ' ' ASP . . . . . 0.535 ' O ' ' CE1' ' A' ' 403' ' ' TYR . 0.7 OUTLIER -78.99 120.51 23.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 1.76 109.288 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -97.26 -44.12 7.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 3.06 110.267 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.36 8.68 12.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 6.31 110.287 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 407' ' ' ARG . . . . . 0.432 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.6 OUTLIER -131.13 -44.69 1.03 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.447 1.092 . . . . 5.24 110.288 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 408' ' ' GLN . . . . . 0.432 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 0.9 OUTLIER 80.93 54.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 3.62 110.321 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -152.65 98.28 2.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 3.14 110.994 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.68 126.27 26.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 2.35 111.003 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 411' ' ' ASP . . . . . 0.573 ' O ' ' CH2' ' A' ' 401' ' ' TRP . 1.5 m-20 -54.38 131.55 62.19 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 2.59 109.33 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 117.02 4.77 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 2.32 111.071 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 45.92 94.94 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.474 1.109 . . . . 1.99 110.995 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 414' ' ' TYR . . . . . 0.543 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 2.0 t80 -132.33 62.56 63.94 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.78 . . . . 1.83 110.981 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 415' ' ' PRO . . . . . 0.429 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.4 Cg_endo -74.99 72.74 4.54 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.526 1.803 . . . . 2.0 111.0 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 416' ' ' LYS . . . . . 0.543 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 3.3 mmtt -90.02 -171.46 3.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 2.95 109.289 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 1.3 mt -138.2 144.96 40.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 2.69 109.326 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 418' ' ' ILE . . . . . 0.57 HG12 ' CD1' ' A' ' 395' ' ' PHE . 2.4 mp -69.15 -67.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 1.17 109.282 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 7.4 t -42.0 -33.18 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 1.29 110.383 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -70.01 -69.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 2.03 109.277 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 421' ' ' ASN . . . . . 0.45 ' ND2' ' CZ ' ' A' ' 422' ' ' PHE . 6.0 t30 -44.86 -43.81 9.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 2.22 109.399 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 422' ' ' PHE . . . . . 0.488 ' CB ' HD13 ' A' ' 425' ' ' ILE . 51.8 m-85 -132.9 112.69 12.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 2.35 110.973 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -86.82 121.23 29.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 2.26 110.339 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 424' ' ' GLY . . . . . 0.59 ' HA3' HD12 ' A' ' 458' ' ' ILE . . . 133.97 -29.71 3.05 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.476 1.11 . . . . 1.59 111.019 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 425' ' ' ILE . . . . . 0.488 HD13 ' CB ' ' A' ' 422' ' ' PHE . 3.8 mp -73.37 -76.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 2.61 109.344 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 151.74 162.7 10.96 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.586 1.179 . . . . 0.88 111.004 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -15.06 20.92 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.447 1.762 . . . . 1.17 110.96 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.485 ' O ' ' CG ' ' A' ' 444' ' ' GLN . 8.3 mttt -131.79 132.63 43.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 2.71 109.33 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 429' ' ' ILE . . . . . 0.587 HD11 ' CD1' ' A' ' 442' ' ' PHE . 1.0 OUTLIER -121.21 159.42 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 1.54 109.326 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -107.38 -63.34 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 2.26 109.315 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -141.54 146.49 36.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.83 109.342 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.768 HG22 ' HB1' ' A' ' 382' ' ' ALA . 10.9 m -137.71 145.41 29.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 2.84 109.335 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 433' ' ' PHE . . . . . 0.566 ' CZ ' ' CB ' ' A' ' 441' ' ' TYR . 6.0 p90 -155.09 176.76 12.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 2.75 111.068 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -146.09 88.45 1.81 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.528 1.143 . . . . 3.7 111.053 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 435' ' ' SER . . . . . 0.62 ' CB ' HG21 ' A' ' 293' ' ' THR . 0.1 OUTLIER -114.52 -12.78 12.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 2.85 109.976 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 436' ' ' LYS . . . . . 0.506 ' HE2' ' CE1' ' A' ' 441' ' ' TYR . 28.5 mmmt -69.33 -166.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.556 1.16 . . . . 4.11 109.297 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -96.5 -38.87 9.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 3.45 109.221 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.64 50.42 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 3.09 109.277 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -145.99 161.7 39.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 2.47 110.99 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -124.7 105.86 9.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 3.1 110.97 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 441' ' ' TYR . . . . . 0.566 ' CB ' ' CZ ' ' A' ' 433' ' ' PHE . 3.2 m-30 -86.43 102.56 14.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 3.21 110.995 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 442' ' ' PHE . . . . . 0.671 ' HD1' HG12 ' A' ' 432' ' ' VAL . 35.9 m-85 -98.13 144.98 27.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 3.32 111.007 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 443' ' ' PHE . . . . . 0.635 ' CE2' ' NE2' ' A' ' 448' ' ' GLN . 2.7 m-85 -120.88 118.92 31.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 3.94 110.959 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 444' ' ' GLN . . . . . 0.485 ' CG ' ' O ' ' A' ' 428' ' ' LYS . 3.9 tm0? -133.02 77.22 1.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 3.58 110.274 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 100.31 -106.79 3.2 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.406 1.067 . . . . 1.69 111.004 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 27.1 p -127.7 31.57 5.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 0.735 . . . . 2.42 110.019 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -142.42 130.44 21.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 2.45 109.336 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 448' ' ' GLN . . . . . 0.635 ' NE2' ' CE2' ' A' ' 443' ' ' PHE . 44.8 tt0 -111.52 117.31 32.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 2.47 110.3 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 449' ' ' PHE . . . . . 0.501 ' CD1' HG22 ' A' ' 461' ' ' THR . 55.6 m-85 -105.02 142.91 33.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 2.9 111.035 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -110.25 126.96 54.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 3.93 110.316 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -108.22 121.52 45.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.386 1.054 . . . . 3.4 110.962 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -111.59 126.46 55.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 3.01 109.225 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -70.58 -11.72 61.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 3.22 110.959 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 14.7 tp -43.71 -38.46 3.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 2.5 109.284 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -167.43 31.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 2.18 109.293 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 41.25 68.04 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 2.88 110.306 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -142.51 132.58 24.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.537 1.148 . . . . 3.55 110.307 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 458' ' ' ILE . . . . . 0.59 HD12 ' HA3' ' A' ' 424' ' ' GLY . 88.2 mt -94.65 82.87 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.411 1.07 . . . . 1.92 109.275 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 10.2 t -102.22 36.01 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 4.32 110.476 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.61 109.95 3.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.152 . . . . 3.61 109.326 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 461' ' ' THR . . . . . 0.501 HG22 ' CD1' ' A' ' 449' ' ' PHE . 7.5 p -124.93 109.59 13.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 2.23 110.454 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 462' ' ' LEU . . . . . 0.885 HD12 ' HB3' ' A' ' 466' ' ' SER . 1.4 pt? -131.77 155.85 47.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 2.46 109.376 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -93.29 156.54 16.75 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.461 1.1 . . . . 2.58 109.259 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 464' ' ' SER . . . . . 0.449 ' HB2' ' CE1' ' A' ' 443' ' ' PHE . 1.9 t -48.74 -28.01 3.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 1.96 109.949 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -100.25 58.85 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 3.52 109.299 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 466' ' ' SER . . . . . 0.885 ' HB3' HD12 ' A' ' 462' ' ' LEU . 11.4 t -113.56 -21.88 10.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 2.64 110.056 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -138.96 -59.87 0.59 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.552 1.158 . . . . 5.08 108.006 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 468' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -52.26 -61.41 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.603 1.19 . . . . 10.31 110.984 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -84.98 -82.1 1.06 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.544 1.152 . . . . 4.53 110.995 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 470' ' ' CYS . . . . . 1.055 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 40.9 m . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 108.289 -1.004 . . . . 5.92 108.289 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 281' ' ' LEU . . . . . . . . . . . . . 7.8 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.247 -0.649 . . . . 2.51 109.247 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 282' ' ' CYS . . . . . 1.069 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 0.1 OUTLIER 174.94 -76.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 3.63 108.33 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -58.94 142.37 85.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 2.8 109.315 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.14 78.37 2.95 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.478 1.778 . . . . 1.91 110.975 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -154.18 34.35 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 2.81 109.313 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 286' ' ' LEU . . . . . 0.581 ' CD2' ' CZ ' ' A' ' 288' ' ' PHE . 6.4 tt -104.27 143.68 32.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 2.7 109.314 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 73.6 p -142.34 157.05 45.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.43 109.997 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 288' ' ' PHE . . . . . 0.581 ' CZ ' ' CD2' ' A' ' 286' ' ' LEU . 81.9 m-85 -127.02 151.88 48.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 2.51 110.996 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -87.72 -50.23 6.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 2.42 109.274 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 290' ' ' ALA . . . . . 0.675 ' HB2' ' O ' ' A' ' 332' ' ' ILE . . . -142.27 169.21 18.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.77 109.295 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 291' ' ' VAL . . . . . 0.474 HG13 ' O ' ' A' ' 290' ' ' ALA . 6.6 m -153.41 139.46 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 1.96 109.304 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 22.9 m -138.72 144.16 39.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 2.44 110.425 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 14.8 t -106.87 146.74 30.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 2.11 110.444 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 92.6 t -136.39 112.26 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 2.17 109.218 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 55.6 -94.2 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.446 1.091 . . . . 1.73 110.993 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -128.82 29.27 5.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 0.774 . . . . 3.46 109.326 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.467 ' HA ' HG21 ' A' ' 310' ' ' VAL . 3.0 mppt? -129.74 169.28 15.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 2.81 109.341 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 298' ' ' ILE . . . . . 0.875 ' H ' HG11 ' A' ' 310' ' ' VAL . 1.6 pt -132.01 167.9 25.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.582 1.176 . . . . 2.33 109.293 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -145.7 133.65 21.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 2.36 111.002 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 300' ' ' PHE . . . . . 0.479 ' HB3' ' CE1' ' A' ' 288' ' ' PHE . 57.7 m-85 -112.14 113.9 26.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 2.39 110.986 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -84.97 132.79 34.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.46 1.1 . . . . 2.29 111.043 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 302' ' ' LYS . . . . . 0.495 ' HG3' ' CE3' ' A' ' 307' ' ' TRP . 1.8 mmmm -131.47 72.99 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 5.3 109.261 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 42.7 t0 67.41 -68.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 3.15 109.303 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 304' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 302' ' ' LYS . 0.0 OUTLIER -133.08 -32.92 1.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 4.1 110.293 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 305' ' ' PHE . . . . . 0.436 ' N ' ' HG2' ' A' ' 304' ' ' ARG . 56.5 m-85 -86.62 145.2 26.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 2.5 111.007 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 306' ' ' PHE . . . . . 0.56 ' CZ ' ' HB2' ' A' ' 319' ' ' ASN . 30.5 p90 -124.93 141.47 52.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 1.89 110.951 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 307' ' ' TRP . . . . . 0.495 ' CE3' ' HG3' ' A' ' 302' ' ' LYS . 1.3 m-90 -97.9 142.64 29.39 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.981 -1.118 . . . . 4.6 107.981 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 308' ' ' LEU . . . . . 0.472 HD22 ' HA ' ' A' ' 308' ' ' LEU . 0.2 OUTLIER -125.11 116.59 22.3 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.507 1.129 . . . . 1.85 109.272 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 309' ' ' LYS . . . . . 0.608 ' CB ' HG22 ' A' ' 316' ' ' THR . 0.4 OUTLIER -171.47 102.21 0.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.395 1.059 . . . . 3.23 109.281 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 310' ' ' VAL . . . . . 0.875 HG11 ' H ' ' A' ' 298' ' ' ILE . 5.5 p -172.43 163.5 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 124.437 1.086 . . . . 2.09 109.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 311' ' ' SER . . . . . 0.472 ' N ' HG22 ' A' ' 310' ' ' VAL . 24.5 t 68.71 -74.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.138 . . . . 3.8 110.027 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -157.55 78.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 5.1 110.305 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.43 134.58 23.43 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.632 1.207 . . . . 4.74 110.304 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -38.79 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.559 1.82 . . . . 2.23 110.995 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.01 159.15 44.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 4.05 109.308 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 316' ' ' THR . . . . . 0.608 HG22 ' CB ' ' A' ' 309' ' ' LYS . 80.7 p -79.52 128.77 33.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 1.2 110.456 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.81 170.97 15.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 1.9 110.02 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 318' ' ' VAL . . . . . 0.59 ' O ' HG12 ' A' ' 318' ' ' VAL . 19.4 t -145.59 79.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 1.96 109.384 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 319' ' ' ASN . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 306' ' ' PHE . 2.9 m120 -110.17 176.56 5.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 1.92 109.321 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.84 120.23 40.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 2.05 109.303 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 321' ' ' ILE . . . . . 0.613 HD12 ' HB3' ' A' ' 330' ' ' SER . 71.9 mt -42.12 -59.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 1.58 109.268 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.24 -42.46 9.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.16 . . . . 2.87 109.984 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.88 -31.6 50.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 1.73 110.026 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 324' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 321' ' ' ILE . 0.4 OUTLIER -94.61 -83.94 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 2.81 109.263 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 325' ' ' TRP . . . . . 0.612 ' CE3' HD12 ' A' ' 328' ' ' LEU . 0.1 OUTLIER -49.2 148.61 4.21 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 107.994 -1.113 . . . . 2.06 107.994 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 326' ' ' PRO . . . . . 0.441 ' HG2' ' CG ' ' A' ' 360' ' ' PRO . 18.4 Cg_endo -75.02 -90.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.519 1.8 . . . . 0.95 111.002 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 327' ' ' THR . . . . . . . . . . . . . 12.7 t -92.04 -0.28 57.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 1.83 110.343 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 328' ' ' LEU . . . . . 1.137 HD21 HD11 ' A' ' 355' ' ' ILE . 0.2 OUTLIER -62.78 132.19 94.65 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 2.19 109.249 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 329' ' ' PRO . . . . . 0.966 ' HD2' HD13 ' A' ' 328' ' ' LEU . 18.2 Cg_endo -75.03 -173.23 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.508 1.794 . . . . 3.25 110.999 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 330' ' ' SER . . . . . 0.613 ' HB3' HD12 ' A' ' 321' ' ' ILE . 1.5 m -140.54 172.17 13.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 3.62 110.013 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 51.3 51.04 38.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.507 1.13 . . . . 2.11 110.98 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.675 ' O ' ' HB2' ' A' ' 290' ' ' ALA . 2.4 mp -67.52 156.41 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 0.736 . . . . 1.86 109.301 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -84.86 -50.28 7.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 2.8 110.312 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 334' ' ' ALA . . . . . 0.739 ' HB1' ' HB3' ' A' ' 383' ' ' ALA . . . -139.08 122.25 16.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 1.34 109.282 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -138.01 144.06 40.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 1.33 109.358 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 336' ' ' TYR . . . . . 0.982 ' OH ' HD11 ' A' ' 338' ' ' ILE . 3.1 p90 -155.41 133.09 11.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 2.89 110.982 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.05 144.34 29.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 4.0 110.219 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 338' ' ' ILE . . . . . 0.982 HD11 ' OH ' ' A' ' 336' ' ' TYR . 95.4 mt -116.37 88.52 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.569 1.168 . . . . 3.56 109.252 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.98 86.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 3.59 110.279 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -159.28 -52.0 0.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.421 1.076 . . . . 1.9 109.262 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -116.93 8.77 13.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 7.16 110.309 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 64.6 t30 57.48 68.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 2.59 109.373 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -145.09 151.56 38.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 3.08 110.295 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 344' ' ' VAL . . . . . 0.632 HG12 ' CD2' ' A' ' 346' ' ' LEU . 20.0 t -102.77 149.95 6.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.111 . . . . 1.31 109.319 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 345' ' ' PHE . . . . . 0.926 ' CE1' HD12 ' A' ' 338' ' ' ILE . 79.8 m-85 -136.05 128.04 29.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 4.12 111.071 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.831 HD11 HD11 ' A' ' 328' ' ' LEU . 0.2 OUTLIER -154.55 133.04 12.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 2.26 109.287 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 347' ' ' PHE . . . . . 0.595 ' CD1' ' N ' ' A' ' 347' ' ' PHE . 0.3 OUTLIER -135.04 60.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 4.27 111.08 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 348' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 350' ' ' ASP . 0.2 OUTLIER -50.17 150.47 2.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 2.81 109.221 -179.873 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 349' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 378' ' ' LYS . 1.2 m-20 44.56 -95.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 4.2 109.371 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 350' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 348' ' ' LYS . 2.9 p30 -141.59 15.82 2.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 3.41 109.323 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -120.78 138.18 54.15 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 2.37 109.311 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 352' ' ' TYR . . . . . 0.55 ' CB ' ' CD2' ' A' ' 347' ' ' PHE . 43.4 p90 -138.0 157.95 45.32 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.538 1.148 . . . . 3.33 110.989 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 353' ' ' TRP . . . . . 0.505 ' CH2' ' HG3' ' A' ' 329' ' ' PRO . 5.6 m-90 -127.55 165.59 19.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 4.81 108.052 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 354' ' ' LEU . . . . . 0.571 HD11 ' OG ' ' A' ' 356' ' ' SER . 0.1 OUTLIER -124.05 118.39 26.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 2.41 109.355 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 1.137 HD11 HD21 ' A' ' 328' ' ' LEU . 1.9 mp -98.77 105.34 17.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 1.57 109.261 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 356' ' ' SER . . . . . 0.571 ' OG ' HD11 ' A' ' 354' ' ' LEU . 0.7 OUTLIER -114.89 117.21 30.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.57 1.169 . . . . 2.39 109.95 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 357' ' ' ASN . . . . . 0.413 ' O ' HD23 ' A' ' 358' ' ' LEU . 28.4 t30 71.08 50.97 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 4.15 109.302 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 358' ' ' LEU . . . . . 0.413 HD23 ' O ' ' A' ' 357' ' ' ASN . 0.3 OUTLIER 51.23 23.44 1.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 3.13 109.332 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 359' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 356' ' ' SER . 0.1 OUTLIER -139.17 133.0 15.97 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 4.83 110.345 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 360' ' ' PRO . . . . . 0.595 ' HB3' HD23 ' A' ' 328' ' ' LEU . 18.3 Cg_endo -75.03 176.54 9.79 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.541 1.811 . . . . 1.65 110.944 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 361' ' ' GLU . . . . . 0.597 ' OE1' ' CE1' ' A' ' 364' ' ' TYR . 0.7 OUTLIER -80.54 152.74 73.12 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.541 1.151 . . . . 3.12 110.342 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 362' ' ' PRO . . . . . 0.451 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.1 Cg_endo -74.97 70.01 5.38 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.481 1.78 . . . . 2.03 110.958 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 363' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 0.7 OUTLIER 78.68 91.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 4.58 109.267 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 364' ' ' TYR . . . . . 0.597 ' CE1' ' OE1' ' A' ' 361' ' ' GLU . 0.1 OUTLIER -125.28 67.89 56.89 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 3.07 110.969 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 365' ' ' PRO . . . . . 0.439 ' HD3' ' C ' ' A' ' 363' ' ' ASN . 17.9 Cg_endo -75.04 56.41 4.27 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.562 1.822 . . . . 1.63 110.938 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 366' ' ' LYS . . . . . 0.575 ' HE3' ' CD1' ' A' ' 364' ' ' TYR . 18.3 mmtt -79.84 170.66 16.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 3.26 109.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 367' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 350' ' ' ASP . 0.5 OUTLIER -139.43 133.57 31.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 2.68 110.005 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 42.5 pt -54.02 -20.41 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 1.63 109.274 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 369' ' ' HIS . . . . . 0.484 ' C ' ' CD2' ' A' ' 369' ' ' HIS . 0.4 OUTLIER -60.92 -14.59 23.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 3.67 109.553 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 45.4 m -63.0 -14.36 46.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 2.54 110.034 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 175.08 66.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 6.3 110.985 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 372' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 374' ' ' PRO . . . -178.47 -60.77 0.07 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.547 1.154 . . . . 2.8 110.988 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 373' ' ' PHE . . . . . 0.592 ' CZ ' ' HA ' ' A' ' 375' ' ' ASN . 25.7 t80 -35.17 95.79 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.449 0.735 . . . . 5.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 374' ' ' PRO . . . . . 0.532 ' O ' ' CB ' ' A' ' 375' ' ' ASN . 18.3 Cg_endo -75.03 8.96 2.19 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.517 1.799 . . . . 2.35 111.01 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 375' ' ' ASN . . . . . 0.592 ' HA ' ' CZ ' ' A' ' 373' ' ' PHE . 9.3 t30 84.1 29.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 6.81 109.372 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -151.94 -59.92 0.16 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 5.32 111.031 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 377' ' ' VAL . . . . . 0.52 HG12 ' N ' ' A' ' 378' ' ' LYS . 84.3 t -49.68 166.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 2.66 109.34 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 378' ' ' LYS . . . . . 0.52 ' N ' HG12 ' A' ' 377' ' ' VAL . 0.0 OUTLIER -175.22 -39.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 3.64 109.246 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.44 124.56 32.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 2.55 109.304 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 380' ' ' ILE . . . . . 0.479 HG22 ' N ' ' A' ' 381' ' ' ASP . 7.7 mt -93.09 165.48 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 1.07 109.36 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 381' ' ' ASP . . . . . 0.479 ' N ' HG22 ' A' ' 380' ' ' ILE . 1.5 m-20 -109.4 -44.01 3.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 2.27 109.285 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 382' ' ' ALA . . . . . 0.688 ' HB1' HG12 ' A' ' 432' ' ' VAL . . . -156.52 163.82 38.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 1.06 109.354 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 383' ' ' ALA . . . . . 0.739 ' HB3' ' HB1' ' A' ' 334' ' ' ALA . . . -161.65 121.75 2.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.85 109.266 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 384' ' ' VAL . . . . . 0.745 ' CG2' HG13 ' A' ' 432' ' ' VAL . 20.0 t -133.13 151.56 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 2.22 109.265 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 385' ' ' PHE . . . . . 0.503 ' HB2' ' CE2' ' A' ' 336' ' ' TYR . 31.7 t80 -98.7 149.55 22.71 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.503 1.127 . . . . 1.76 110.96 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -130.26 103.6 16.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 2.16 109.332 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -17.31 19.73 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.782 . . . . 1.89 111.03 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -80.3 -22.81 41.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 2.03 110.32 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -121.05 5.23 10.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 3.31 111.036 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 46.78 37.84 5.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.168 . . . . 2.63 111.061 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -144.14 164.46 30.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 3.35 110.341 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 392' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 384' ' ' VAL . 13.9 m -125.89 130.07 50.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.9 110.415 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -79.96 137.06 36.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 2.13 110.994 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 394' ' ' PHE . . . . . 0.438 ' CD2' ' CD1' ' A' ' 403' ' ' TYR . 2.7 m-85 -120.25 100.64 7.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 2.06 110.971 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -82.93 113.74 20.74 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.485 1.116 . . . . 1.3 110.996 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 45.1 t -138.21 125.89 29.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.165 . . . . 1.48 109.32 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 4.6 t0 51.08 -152.67 0.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 3.68 109.286 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -87.39 50.93 2.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 3.19 109.237 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 399' ' ' GLN . . . . . 0.648 ' O ' HD11 ' A' ' 418' ' ' ILE . 8.1 mp0 -147.09 159.55 43.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 3.03 110.309 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 400' ' ' TYR . . . . . 0.567 ' C ' ' CD1' ' A' ' 400' ' ' TYR . 0.1 OUTLIER -117.41 94.98 4.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 2.75 110.93 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 401' ' ' TRP . . . . . 0.447 ' CZ3' ' HB2' ' A' ' 399' ' ' GLN . 0.6 OUTLIER -92.2 156.84 17.05 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.928 -1.138 . . . . 5.87 107.928 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -153.4 128.35 9.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 3.05 110.305 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 403' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 410' ' ' MET . 5.2 m-85 -103.46 170.63 7.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 7.17 110.993 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -113.65 126.3 55.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 1.71 109.27 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -82.39 -46.9 12.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 2.82 110.312 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -63.4 -63.9 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 6.8 110.349 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -57.96 -38.56 76.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 2.94 110.291 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 70.26 46.71 0.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 2.77 110.285 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 8.0 tpt -152.46 114.89 4.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 2.87 111.018 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 410' ' ' MET . . . . . 0.56 ' HB3' ' CE2' ' A' ' 403' ' ' TYR . 0.0 OUTLIER -52.39 126.24 18.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 2.49 111.004 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -42.6 133.29 2.84 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 2.82 109.296 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 105.82 2.16 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.519 1.799 . . . . 2.51 110.999 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 55.44 97.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.452 1.095 . . . . 2.11 110.999 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 414' ' ' TYR . . . . . 0.461 ' N ' ' HD3' ' A' ' 415' ' ' PRO . 1.7 t80 -137.92 60.72 25.05 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 1.82 111.015 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 415' ' ' PRO . . . . . 0.461 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.2 Cg_endo -75.02 65.58 6.08 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 1.47 110.988 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -89.54 -178.89 5.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 2.65 109.316 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 417' ' ' LEU . . . . . 0.497 HD23 HG22 ' A' ' 419' ' ' THR . 0.0 OUTLIER -126.58 139.47 53.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 2.01 109.277 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 418' ' ' ILE . . . . . 0.648 HD11 ' O ' ' A' ' 399' ' ' GLN . 3.7 mt -70.21 -71.56 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 1.04 109.298 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 419' ' ' THR . . . . . 0.497 HG22 HD23 ' A' ' 417' ' ' LEU . 6.3 t -40.66 -29.39 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.142 . . . . 1.3 110.454 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 420' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 418' ' ' ILE . 15.1 mttt -68.5 -69.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.67 109.345 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -46.79 -53.19 12.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 2.38 109.298 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 422' ' ' PHE . . . . . 0.663 ' O ' HD11 ' A' ' 425' ' ' ILE . 22.1 m-85 -122.44 111.0 16.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 3.03 111.006 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.97 69.96 1.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 3.1 110.309 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 424' ' ' GLY . . . . . 0.631 ' H ' HD13 ' A' ' 425' ' ' ILE . . . -161.41 25.23 0.25 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.462 1.101 . . . . 2.13 111.033 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 425' ' ' ILE . . . . . 0.785 ' N ' HD13 ' A' ' 425' ' ' ILE . 0.2 OUTLIER -147.99 -47.88 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 124.455 0.738 . . . . 2.11 109.308 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 426' ' ' GLY . . . . . 0.411 ' N ' HG12 ' A' ' 425' ' ' ILE . . . 128.82 176.09 14.3 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.496 1.122 . . . . 0.87 111.012 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -24.91 12.27 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.541 1.811 . . . . 1.29 111.012 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.475 ' C ' HD12 ' A' ' 429' ' ' ILE . 1.5 mmmm -127.08 138.27 53.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 2.35 109.315 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 429' ' ' ILE . . . . . 0.549 HD11 HG12 ' A' ' 425' ' ' ILE . 3.4 mp -133.88 129.37 54.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 2.91 109.304 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 430' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 443' ' ' PHE . 0.9 OUTLIER -54.31 -63.56 1.11 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 2.07 109.318 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -160.34 168.33 25.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 1.26 109.302 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.745 HG13 ' CG2' ' A' ' 384' ' ' VAL . 3.2 p -157.77 148.1 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 2.09 109.282 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 433' ' ' PHE . . . . . 0.452 ' CD1' ' N ' ' A' ' 433' ' ' PHE . 3.5 p90 -145.41 163.93 33.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 2.72 111.031 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -110.78 83.53 1.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 2.95 110.937 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 4.8 t -104.77 -23.14 13.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 2.56 110.023 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 436' ' ' LYS . . . . . 0.554 ' HD3' ' CE1' ' A' ' 441' ' ' TYR . 0.0 OUTLIER -67.93 -168.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 5.98 109.367 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -100.39 -21.76 15.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 5.03 109.266 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.22 51.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 3.62 109.254 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 439' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 452' ' ' ASP . 8.5 m-85 -142.4 166.27 25.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 3.0 110.994 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 440' ' ' TYR . . . . . 0.526 ' HB3' ' CE2' ' A' ' 442' ' ' PHE . 12.5 m-85 -125.83 104.99 8.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 3.19 111.032 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 441' ' ' TYR . . . . . 0.562 ' CE1' ' CG ' ' A' ' 450' ' ' GLU . 2.8 m-85 -91.19 96.62 10.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 2.76 110.977 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 442' ' ' PHE . . . . . 0.6 ' CD2' HG21 ' A' ' 425' ' ' ILE . 70.4 m-85 -96.21 145.77 25.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 3.17 111.026 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 443' ' ' PHE . . . . . 0.559 ' CZ ' ' CD ' ' A' ' 448' ' ' GLN . 0.3 OUTLIER -116.07 115.67 26.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 3.58 110.971 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -114.68 78.69 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 4.03 110.25 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 92.61 -86.76 1.21 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.123 . . . . 2.19 111.047 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 12.9 m -141.7 38.33 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 2.86 109.97 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -144.31 140.58 29.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 2.2 109.275 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 448' ' ' GLN . . . . . 0.559 ' CD ' ' CZ ' ' A' ' 443' ' ' PHE . 4.0 tt0 -113.04 110.49 20.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 3.13 110.28 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -91.91 139.91 30.2 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.605 1.191 . . . . 2.37 110.974 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 0.562 ' CG ' ' CE1' ' A' ' 441' ' ' TYR . 0.7 OUTLIER -104.48 76.17 1.28 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.49 1.119 . . . . 4.72 110.275 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -85.09 107.48 17.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.601 1.188 . . . . 3.05 110.997 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 452' ' ' ASP . . . . . 0.562 ' HB2' ' CE1' ' A' ' 439' ' ' TYR . 40.3 t0 -100.83 155.21 18.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 3.79 109.296 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 453' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 454' ' ' LEU . 47.0 t80 -84.32 -10.71 57.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 3.03 111.02 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 454' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 453' ' ' PHE . 14.8 tp -40.12 -44.76 1.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 2.49 109.267 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -168.72 32.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 1.95 109.275 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 45.57 66.33 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 2.78 110.303 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.7 140.04 29.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 3.27 110.277 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 4.6 mt -83.84 115.96 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 2.18 109.269 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 10.0 p -88.43 -47.51 8.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 3.07 110.363 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -128.11 165.1 21.03 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.111 . . . . 3.67 109.292 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 13.6 m -153.99 116.33 4.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 2.42 110.396 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 462' ' ' LEU . . . . . 0.797 HD22 ' HB2' ' A' ' 466' ' ' SER . 11.9 mt -86.49 178.89 6.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 3.67 109.353 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.35 58.66 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 6.17 109.309 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 464' ' ' SER . . . . . 0.406 ' O ' ' CG ' ' A' ' 465' ' ' ASN . 0.2 OUTLIER 42.51 31.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 3.13 110.005 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 465' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 464' ' ' SER . 31.6 m-80 -173.59 44.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 2.64 109.286 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 466' ' ' SER . . . . . 0.797 ' HB2' HD22 ' A' ' 462' ' ' LEU . 1.2 p -64.38 -35.2 80.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 3.85 109.999 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 467' ' ' TRP . . . . . 0.452 ' O ' ' C ' ' A' ' 468' ' ' PHE . 0.3 OUTLIER -165.31 -43.12 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.983 -1.117 . . . . 7.14 107.983 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 468' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' A' ' 467' ' ' TRP . 15.4 m-85 -33.58 -56.2 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 8.75 110.982 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -112.82 -84.56 1.36 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.52 1.138 . . . . 4.02 110.975 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 470' ' ' CYS . . . . . 1.069 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 1.4 m . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 108.276 -1.009 . . . . 3.45 108.276 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 281' ' ' LEU . . . . . 0.65 ' CD2' ' CD1' ' A' ' 468' ' ' PHE . 1.3 mt . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.288 -0.634 . . . . 3.25 109.288 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 282' ' ' CYS . . . . . . . . . . . . . 42.3 t -157.14 51.01 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 3.43 108.3 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 283' ' ' ASP . . . . . 0.407 ' HB3' ' OD1' ' A' ' 285' ' ' ASN . 0.7 OUTLIER -146.93 145.25 21.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 4.48 109.276 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 68.68 5.77 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.542 1.812 . . . . 3.07 110.92 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 285' ' ' ASN . . . . . 0.407 ' OD1' ' HB3' ' A' ' 283' ' ' ASP . 0.3 OUTLIER -169.59 40.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 3.52 109.379 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 286' ' ' LEU . . . . . 0.688 HD23 ' H ' ' A' ' 287' ' ' SER . 0.4 OUTLIER -111.81 154.59 24.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 2.8 109.284 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 287' ' ' SER . . . . . 0.688 ' H ' HD23 ' A' ' 286' ' ' LEU . 57.4 p -142.62 176.84 8.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 2.35 109.984 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -144.26 178.27 8.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 2.58 111.024 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.54 -48.87 1.16 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 2.6 109.31 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -147.89 141.08 25.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.94 109.345 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 291' ' ' VAL . . . . . . . . . . . . . 1.3 m -140.6 131.42 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 2.27 109.333 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 14.2 t -143.69 163.13 34.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 1.53 110.385 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 2.6 t -116.42 161.58 18.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 2.24 110.377 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 79.4 t -135.5 77.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.68 109.247 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 74.06 -88.07 0.67 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.548 1.155 . . . . 1.97 111.006 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -115.82 -5.99 12.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 0.787 . . . . 4.42 109.276 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.456 ' HA ' HG23 ' A' ' 310' ' ' VAL . 2.8 mtmm -99.83 161.03 13.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 2.54 109.296 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 298' ' ' ILE . . . . . 0.448 ' C ' ' CD1' ' A' ' 299' ' ' PHE . 1.4 pt -139.37 144.48 28.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 2.35 109.264 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 299' ' ' PHE . . . . . 0.586 ' CE2' HD21 ' A' ' 308' ' ' LEU . 9.8 m-85 -138.77 167.81 21.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 2.57 110.988 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 300' ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' A' ' 300' ' ' PHE . 0.1 OUTLIER -153.11 125.24 7.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 3.31 111.022 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 301' ' ' PHE . . . . . 0.67 ' CD1' HD13 ' A' ' 332' ' ' ILE . 97.7 m-85 -104.68 146.28 29.16 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.531 1.144 . . . . 2.1 110.97 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.15 -53.86 2.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 3.73 109.333 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 303' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 331' ' ' GLY . 12.6 t0 -169.82 -61.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 3.96 109.247 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 304' ' ' ARG . . . . . 0.571 ' HG2' ' CD2' ' A' ' 305' ' ' PHE . 0.0 OUTLIER -118.17 -22.76 7.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.439 1.087 . . . . 4.3 110.242 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 305' ' ' PHE . . . . . 0.571 ' CD2' ' HG2' ' A' ' 304' ' ' ARG . 79.6 m-85 -103.45 155.53 18.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 3.14 110.998 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 306' ' ' PHE . . . . . 0.538 ' CZ ' ' HB2' ' A' ' 319' ' ' ASN . 6.5 p90 -116.01 150.39 37.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 2.41 110.945 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 307' ' ' TRP . . . . . 0.579 ' CH2' HD11 ' A' ' 281' ' ' LEU . 48.5 m95 -114.75 144.82 42.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 5.66 108.008 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 308' ' ' LEU . . . . . 0.586 HD21 ' CE2' ' A' ' 299' ' ' PHE . 0.2 OUTLIER -132.46 112.67 12.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.419 1.074 . . . . 1.98 109.292 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 309' ' ' LYS . . . . . 0.457 ' CD ' HG22 ' A' ' 316' ' ' THR . 1.4 tptt -148.52 102.41 3.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 2.37 109.244 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 310' ' ' VAL . . . . . 0.649 HG13 ' H ' ' A' ' 312' ' ' GLU . 2.2 p -110.7 177.02 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 2.87 109.347 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 311' ' ' SER . . . . . 0.581 ' H ' HG22 ' A' ' 310' ' ' VAL . 0.3 OUTLIER -84.93 29.55 0.63 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.534 1.146 . . . . 6.95 109.965 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 312' ' ' GLU . . . . . 0.649 ' H ' HG13 ' A' ' 310' ' ' VAL . 11.4 tt0 -149.33 23.36 0.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.094 . . . . 6.38 110.31 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -120.88 134.1 24.25 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.125 . . . . 4.31 110.292 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -24.95 12.34 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.525 1.802 . . . . 2.69 110.935 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -150.65 160.07 44.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 3.16 109.355 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 316' ' ' THR . . . . . 0.561 HG21 ' CD1' ' A' ' 468' ' ' PHE . 73.4 p -95.95 123.13 39.42 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.535 1.147 . . . . 1.87 110.431 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 317' ' ' SER . . . . . 0.448 ' O ' ' CE3' ' A' ' 307' ' ' TRP . 0.6 OUTLIER -87.46 168.02 13.47 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 2.3 110.012 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 318' ' ' VAL . . . . . 0.561 ' HB ' ' CZ3' ' A' ' 307' ' ' TRP . 6.2 p -153.36 121.94 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 2.65 109.303 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 319' ' ' ASN . . . . . 0.538 ' HB2' ' CZ ' ' A' ' 306' ' ' PHE . 0.9 OUTLIER -143.64 175.83 9.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.404 1.065 . . . . 2.62 109.213 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 10.1 tp -81.86 154.78 25.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 2.39 109.296 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 321' ' ' ILE . . . . . . . . . . . . . 37.5 mt -68.17 -70.1 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 1.49 109.258 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 3.7 t -42.93 -32.41 0.63 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.476 1.11 . . . . 2.85 110.003 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 323' ' ' SER . . . . . 0.556 ' HB3' HD12 ' A' ' 324' ' ' LEU . 0.1 OUTLIER -42.35 -36.59 1.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 1.56 109.965 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 324' ' ' LEU . . . . . 0.556 HD12 ' HB3' ' A' ' 323' ' ' SER . 5.2 mp -116.19 -58.98 2.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 2.48 109.318 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 325' ' ' TRP . . . . . 0.407 ' HB3' HD23 ' A' ' 328' ' ' LEU . 1.4 m-90 -58.22 152.03 44.06 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 3.05 108.0 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -56.69 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.494 1.787 . . . . 1.78 110.978 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 327' ' ' THR . . . . . 0.458 ' O ' HG23 ' A' ' 327' ' ' THR . 3.1 t -153.94 104.01 2.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 2.62 110.409 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 328' ' ' LEU . . . . . 0.567 HD13 ' HD2' ' A' ' 329' ' ' PRO . 0.2 OUTLIER -99.8 167.72 10.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 2.38 109.315 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 329' ' ' PRO . . . . . 0.567 ' HD2' HD13 ' A' ' 328' ' ' LEU . 18.3 Cg_endo -74.99 -16.42 20.24 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.515 1.797 . . . . 4.18 111.024 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 53.0 p 58.68 111.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 3.57 110.001 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 331' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 303' ' ' ASP . . . 104.02 41.56 2.09 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.493 1.12 . . . . 1.46 111.013 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.68 HG21 HD12 ' A' ' 346' ' ' LEU . 3.0 mt -49.25 102.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 0.785 . . . . 2.09 109.382 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -79.73 -35.48 38.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 2.97 110.305 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 334' ' ' ALA . . . . . 0.606 ' HB3' ' HB2' ' A' ' 347' ' ' PHE . . . -142.96 122.26 13.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.93 109.249 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -109.44 115.43 29.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 1.05 109.287 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 336' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -108.63 158.94 17.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 4.0 111.048 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -155.59 142.74 19.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 3.41 110.269 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 338' ' ' ILE . . . . . . . . . . . . . 2.7 tp -140.64 121.36 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 3.46 109.238 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.18 -41.38 49.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 3.67 110.299 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -40.94 -57.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 1.84 109.292 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -85.82 -19.07 31.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 3.45 110.286 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 4.7 t30 62.66 52.54 2.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 2.23 109.291 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 343' ' ' GLN . . . . . 0.515 ' OE1' HD21 ' A' ' 354' ' ' LEU . 33.7 mt-30 -125.35 178.51 5.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 2.5 110.328 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 344' ' ' VAL . . . . . 0.417 HG12 ' CD2' ' A' ' 346' ' ' LEU . 40.6 t -137.51 135.06 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 1.19 109.274 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 345' ' ' PHE . . . . . 0.792 ' C ' HD22 ' A' ' 346' ' ' LEU . 17.0 m-85 -130.34 129.81 43.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 2.61 110.965 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.792 HD22 ' C ' ' A' ' 345' ' ' PHE . 2.9 mm? -124.01 103.0 8.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 1.83 109.346 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 347' ' ' PHE . . . . . 0.606 ' HB2' ' HB3' ' A' ' 334' ' ' ALA . 91.5 m-85 -83.62 142.21 30.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 2.62 110.959 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 348' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 351' ' ' LYS . 11.7 tmtt? -164.71 125.85 2.1 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.44 1.087 . . . . 2.94 109.331 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 50.32 -150.5 0.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 3.01 109.346 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 350' ' ' ASP . . . . . 0.435 ' OD1' ' ND1' ' A' ' 369' ' ' HIS . 44.8 t0 -88.26 44.11 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 2.89 109.253 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 348' ' ' LYS . 18.5 mttt -155.25 149.73 26.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 2.05 109.32 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 352' ' ' TYR . . . . . 0.562 ' CD1' ' C ' ' A' ' 352' ' ' TYR . 0.0 OUTLIER -143.79 127.09 16.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 4.86 111.042 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 353' ' ' TRP . . . . . 0.442 ' CH2' HG23 ' A' ' 327' ' ' THR . 21.4 m95 -95.83 146.88 24.2 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.989 -1.115 . . . . 5.63 107.989 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 354' ' ' LEU . . . . . 0.596 HD13 ' C ' ' A' ' 354' ' ' LEU . 1.7 tm? -108.94 113.01 25.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 3.11 109.297 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.694 HD12 ' N ' ' A' ' 355' ' ' ILE . 2.1 mp -93.39 92.75 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 1.79 109.25 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 356' ' ' SER . . . . . 0.43 ' HB2' HD11 ' A' ' 354' ' ' LEU . 1.4 t -96.12 122.29 38.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 1.58 110.022 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 357' ' ' ASN . . . . . 0.665 ' O ' HD23 ' A' ' 358' ' ' LEU . 45.6 m-20 59.48 47.62 10.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 2.68 109.356 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 358' ' ' LEU . . . . . 0.665 HD23 ' O ' ' A' ' 357' ' ' ASN . 0.3 OUTLIER 55.14 37.02 28.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 2.91 109.205 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.82 115.47 3.23 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.14 . . . . 4.42 110.295 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 360' ' ' PRO . . . . . 0.457 ' HA ' ' O ' ' A' ' 354' ' ' LEU . 18.3 Cg_endo -74.93 110.35 3.1 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.444 1.76 . . . . 2.4 110.971 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -39.04 128.29 1.23 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 3.99 110.376 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 362' ' ' PRO . . . . . 0.428 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.3 Cg_endo -75.03 122.5 7.23 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.475 1.776 . . . . 3.15 110.98 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 363' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 4.8 t-20 77.99 54.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.157 . . . . 3.37 109.343 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 364' ' ' TYR . . . . . 0.552 ' CD2' ' HD2' ' A' ' 366' ' ' LYS . 0.8 OUTLIER -136.52 60.09 29.42 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 2.95 110.993 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 365' ' ' PRO . . . . . 0.483 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -75.04 53.31 3.31 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.501 1.79 . . . . 1.93 110.984 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 366' ' ' LYS . . . . . 0.559 ' HB3' ' CD2' ' A' ' 352' ' ' TYR . 0.3 OUTLIER -62.29 169.51 2.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 2.07 109.298 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 367' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 370' ' ' SER . 3.7 m -153.05 144.03 22.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 3.28 110.019 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 368' ' ' ILE . . . . . 0.493 HD13 HD11 ' A' ' 380' ' ' ILE . 1.0 OUTLIER -67.77 -20.02 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 2.29 109.252 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 369' ' ' HIS . . . . . 0.435 ' ND1' ' OD1' ' A' ' 350' ' ' ASP . 0.9 OUTLIER -69.7 -19.15 63.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 3.98 109.661 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 370' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 367' ' ' SER . 0.2 OUTLIER -70.39 -7.06 40.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.404 1.065 . . . . 2.54 110.054 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 371' ' ' PHE . . . . . 0.482 ' O ' ' CD2' ' A' ' 371' ' ' PHE . 36.9 p90 -170.84 57.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 7.07 111.017 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 372' ' ' GLY . . . . . 0.593 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -171.18 -50.64 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.557 1.161 . . . . 3.04 110.933 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 373' ' ' PHE . . . . . 0.593 ' C ' ' O ' ' A' ' 372' ' ' GLY . 22.3 t80 -19.56 92.09 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 5.17 110.951 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 374' ' ' PRO . . . . . 0.468 ' N ' ' O ' ' A' ' 372' ' ' GLY . 18.1 Cg_endo -74.98 -55.47 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 2.49 111.044 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -134.62 -55.84 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.583 1.177 . . . . 4.86 109.3 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -160.44 33.0 0.16 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 7.03 110.977 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 377' ' ' VAL . . . . . 0.437 HG12 ' HD2' ' A' ' 374' ' ' PRO . 0.3 OUTLIER -73.43 141.74 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 2.3 109.218 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.84 29.75 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 2.87 109.343 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -170.91 122.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 3.11 109.308 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 380' ' ' ILE . . . . . 0.493 HD11 HD13 ' A' ' 368' ' ' ILE . 10.0 mt -99.49 144.29 12.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 1.02 109.342 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.58 -47.04 11.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 2.2 109.359 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 382' ' ' ALA . . . . . 0.746 ' HB1' HG12 ' A' ' 432' ' ' VAL . . . -157.76 169.34 24.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.86 109.292 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -153.36 118.02 4.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.69 109.303 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 384' ' ' VAL . . . . . 0.53 HG22 ' H ' ' A' ' 385' ' ' PHE . 9.6 p -134.2 171.28 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 2.08 109.299 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 385' ' ' PHE . . . . . 0.53 ' H ' HG22 ' A' ' 384' ' ' VAL . 22.8 t80 -135.74 148.29 48.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 1.99 110.984 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.5 125.75 29.14 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 2.3 109.283 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 387' ' ' PRO . . . . . 0.485 ' O ' ' CE1' ' A' ' 390' ' ' TYR . 18.1 Cg_endo -75.06 -30.54 6.97 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.568 1.825 . . . . 1.74 111.045 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 388' ' ' ARG . . . . . 0.46 ' O ' ' CE2' ' A' ' 390' ' ' TYR . 12.1 mmm180 -80.34 -41.26 25.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 2.17 110.327 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 389' ' ' PHE . . . . . 0.419 ' O ' ' CG ' ' A' ' 391' ' ' ARG . 0.2 OUTLIER -87.24 -13.38 43.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.173 . . . . 2.73 110.991 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 390' ' ' TYR . . . . . 0.485 ' CE1' ' O ' ' A' ' 387' ' ' PRO . 39.5 m-85 48.9 35.06 6.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 3.05 111.028 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 391' ' ' ARG . . . . . 0.419 ' CG ' ' O ' ' A' ' 389' ' ' PHE . 1.4 mtt85 -135.1 145.16 47.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 4.13 110.323 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 392' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 384' ' ' VAL . 81.1 m -98.82 112.46 24.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.81 110.421 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -79.22 135.36 36.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 2.43 110.988 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.6 109.57 17.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 2.67 110.974 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 395' ' ' PHE . . . . . 0.428 ' HD2' ' HB3' ' A' ' 382' ' ' ALA . 22.7 m-85 -90.85 111.61 23.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.131 . . . . 1.62 111.024 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 52.5 t -135.03 122.56 37.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.357 1.036 . . . . 1.61 109.333 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 55.89 -151.94 0.38 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 3.96 109.238 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -89.08 48.65 1.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 3.35 109.277 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 399' ' ' GLN . . . . . 0.551 ' O ' HD11 ' A' ' 418' ' ' ILE . 32.3 mt-30 -144.98 164.71 30.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 2.62 110.234 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 400' ' ' TYR . . . . . 0.515 ' C ' ' CD1' ' A' ' 400' ' ' TYR . 0.1 OUTLIER -121.95 123.53 41.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 2.97 111.0 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -117.12 163.18 16.66 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.018 -1.104 . . . . 5.21 108.018 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 402' ' ' ARG . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 402' ' ' ARG . 14.4 ttp-105 -154.58 127.73 8.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 5.41 110.295 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -105.68 127.81 53.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 6.29 111.076 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.31 131.55 43.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 2.03 109.31 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.18 -47.15 4.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 2.61 110.291 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -65.0 -37.94 89.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 6.2 110.262 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 407' ' ' ARG . . . . . 0.438 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.5 OUTLIER -87.79 -44.99 10.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 2.61 110.269 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 408' ' ' GLN . . . . . 0.438 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 1.3 tt0 81.89 39.76 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 2.61 110.325 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -145.18 104.97 4.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 2.65 110.978 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.49 126.63 28.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 2.48 111.053 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.03 133.02 40.09 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 3.33 109.31 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 114.26 3.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.541 1.811 . . . . 2.61 111.003 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 53.22 102.01 0.01 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.518 1.136 . . . . 2.2 110.97 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 414' ' ' TYR . . . . . 0.514 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 2.1 t80 -144.38 63.07 10.67 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.528 0.781 . . . . 2.45 110.978 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 415' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -74.96 76.13 3.47 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.557 1.82 . . . . 1.46 110.994 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 416' ' ' LYS . . . . . 0.514 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 27.4 mmtt -94.45 -174.62 3.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.399 1.062 . . . . 2.75 109.316 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.13 135.93 53.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 2.54 109.328 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 418' ' ' ILE . . . . . 0.551 HD11 ' O ' ' A' ' 399' ' ' GLN . 2.8 mt -65.78 -63.43 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 1.68 109.358 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 419' ' ' THR . . . . . 0.474 ' HB ' ' CA ' ' A' ' 427' ' ' PRO . 5.2 t -47.81 -43.92 28.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 1.53 110.368 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -61.28 -40.08 92.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 1.85 109.342 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -69.99 -61.7 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 2.35 109.276 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 422' ' ' PHE . . . . . 0.489 ' CB ' HD11 ' A' ' 425' ' ' ILE . 19.9 m-85 -81.3 -70.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 4.29 111.037 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 423' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 419' ' ' THR . 0.0 OUTLIER 75.89 96.72 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 2.41 110.295 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 424' ' ' GLY . . . . . 0.629 ' HA3' HD11 ' A' ' 458' ' ' ILE . . . 151.96 -29.47 0.91 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.156 . . . . 1.64 111.011 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 425' ' ' ILE . . . . . 0.6 HD13 ' H ' ' A' ' 425' ' ' ILE . 0.2 OUTLIER -100.31 -24.92 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 2.16 109.281 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 107.94 159.39 20.4 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.53 1.144 . . . . 1.29 110.974 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 427' ' ' PRO . . . . . 0.474 ' CA ' ' HB ' ' A' ' 419' ' ' THR . 18.3 Cg_endo -75.02 -3.98 14.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.567 1.825 . . . . 2.15 111.024 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.3 133.27 54.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.604 1.19 . . . . 2.44 109.326 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 429' ' ' ILE . . . . . 0.442 HD13 ' HD2' ' A' ' 442' ' ' PHE . 7.1 tp -143.87 134.66 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 1.91 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -103.49 -56.63 2.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.436 1.085 . . . . 3.98 109.279 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -134.73 150.31 50.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.174 . . . . 0.82 109.352 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.746 HG12 ' HB1' ' A' ' 382' ' ' ALA . 9.3 p -156.65 136.71 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 1.89 109.289 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 433' ' ' PHE . . . . . 0.409 ' CE1' ' HB2' ' A' ' 441' ' ' TYR . 7.5 p90 -141.3 135.07 30.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 2.74 111.04 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -88.8 101.84 14.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 3.08 111.037 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 435' ' ' SER . . . . . 0.401 ' HB3' ' CD2' ' A' ' 433' ' ' PHE . 0.9 OUTLIER -151.29 97.61 2.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 3.1 110.008 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 436' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 176.53 -163.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 3.96 109.262 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -83.32 -37.95 22.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 5.65 109.345 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 438' ' ' LYS . . . . . 0.54 ' O ' ' CD1' ' A' ' 439' ' ' TYR . 0.0 OUTLIER -178.54 62.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 3.25 109.273 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 439' ' ' TYR . . . . . 0.54 ' CD1' ' O ' ' A' ' 438' ' ' LYS . 49.7 m-85 -154.3 172.12 18.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 2.61 111.042 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -135.96 140.17 43.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 3.2 110.982 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 441' ' ' TYR . . . . . 0.704 ' O ' HG23 ' A' ' 432' ' ' VAL . 5.9 m-85 -105.09 127.82 53.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 2.33 110.976 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 442' ' ' PHE . . . . . 0.442 ' HD2' HD13 ' A' ' 429' ' ' ILE . 22.5 m-85 -122.4 141.33 51.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 3.37 111.05 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 443' ' ' PHE . . . . . 0.537 ' CD1' ' C ' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -150.49 146.3 26.53 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.495 1.122 . . . . 5.46 111.03 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -159.28 67.45 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 3.91 110.277 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 148.14 -90.37 0.14 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.566 1.166 . . . . 2.17 110.973 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 4.5 p -150.66 36.1 0.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.408 0.71 . . . . 2.37 109.963 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -146.56 142.18 27.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 3.67 109.335 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 448' ' ' GLN . . . . . 0.572 ' HB3' HD21 ' A' ' 462' ' ' LEU . 6.3 mt-30 -123.72 90.22 3.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 3.95 110.294 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -82.98 159.95 22.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 2.43 110.982 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -124.84 129.98 51.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 3.8 110.35 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -105.98 144.01 33.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 3.75 111.054 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -124.66 112.14 16.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 3.18 109.271 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -61.42 -12.91 16.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 3.0 111.017 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 454' ' ' LEU . . . . . 0.451 HD23 ' CD2' ' A' ' 455' ' ' LEU . 16.0 tp -57.0 -32.64 66.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 2.44 109.296 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.463 ' CD1' ' HD3' ' A' ' 457' ' ' ARG . 1.0 OUTLIER -177.03 44.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 2.07 109.311 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 456' ' ' GLN . . . . . 0.419 ' NE2' ' O ' ' A' ' 455' ' ' LEU . 3.3 pm0 38.47 45.74 0.88 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.573 1.171 . . . . 4.76 110.328 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 457' ' ' ARG . . . . . 0.463 ' HD3' ' CD1' ' A' ' 455' ' ' LEU . 0.5 OUTLIER -93.03 167.99 11.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 3.0 110.349 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 458' ' ' ILE . . . . . 0.629 HD11 ' HA3' ' A' ' 424' ' ' GLY . 2.5 mp -143.17 79.83 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 2.17 109.311 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 1.8 t -102.23 43.31 1.08 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 2.74 110.409 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.69 100.74 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 3.32 109.297 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 5.3 p -121.76 112.35 18.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 2.48 110.384 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 462' ' ' LEU . . . . . 0.656 HD12 ' CB ' ' A' ' 466' ' ' SER . 0.8 OUTLIER -140.39 170.39 15.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.449 1.093 . . . . 2.53 109.328 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.0 168.03 10.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 2.55 109.293 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 1.3 t -51.07 -35.18 33.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.81 110.008 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -99.82 65.97 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 3.71 109.313 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 466' ' ' SER . . . . . 0.656 ' CB ' HD12 ' A' ' 462' ' ' LEU . 30.4 t -114.23 -19.83 11.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 2.53 109.986 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 467' ' ' TRP . . . . . 0.424 ' O ' ' N ' ' A' ' 469' ' ' GLY . 0.6 OUTLIER -104.77 -56.15 2.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.603 1.189 . . . . 4.3 107.989 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 468' ' ' PHE . . . . . 0.65 ' CD1' ' CD2' ' A' ' 281' ' ' LEU . 74.9 m-85 -39.34 -29.61 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.132 . . . . 6.34 110.94 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 469' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 467' ' ' TRP . . . 101.8 56.61 0.85 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.537 1.148 . . . . 2.18 110.978 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 N-CA-C 108.364 -0.976 . . . . 3.47 108.364 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 281' ' ' LEU . . . . . 0.459 HD22 ' CD1' ' A' ' 468' ' ' PHE . 1.3 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.339 -0.615 . . . . 2.44 109.339 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 282' ' ' CYS . . . . . 1.155 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 1.8 t -130.95 17.31 5.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.423 1.077 . . . . 2.87 108.317 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -157.79 152.45 20.83 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 3.59 109.34 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 59.3 5.12 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.433 1.754 . . . . 1.92 110.99 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -121.39 24.43 9.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 3.86 109.344 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 286' ' ' LEU . . . . . 0.532 HD11 ' CZ2' ' A' ' 307' ' ' TRP . 5.7 tp -110.62 150.37 29.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 2.77 109.322 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 3.7 p -145.19 167.91 21.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 1.91 110.017 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -130.33 171.53 12.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.412 1.07 . . . . 2.02 110.994 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -115.97 -53.44 2.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 2.62 109.265 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -150.42 150.55 31.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.162 . . . . 1.02 109.315 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 291' ' ' VAL . . . . . 0.824 HG22 ' HB1' ' A' ' 431' ' ' ALA . 3.9 m -138.03 165.99 24.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 2.01 109.354 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 1.6 t -149.84 167.11 27.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 1.38 110.352 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 293' ' ' THR . . . . . 0.445 ' CG2' ' HB2' ' A' ' 433' ' ' PHE . 82.6 p -120.3 118.19 29.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 3.63 110.446 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 294' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 296' ' ' ASN . 62.0 t -122.61 114.38 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 1.74 109.329 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 54.9 -86.77 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 1.97 110.989 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 296' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 294' ' ' VAL . 3.4 p30 -141.37 25.39 2.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 0.748 . . . . 3.9 109.267 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.497 ' HA ' HG23 ' A' ' 310' ' ' VAL . 16.1 mtmt -125.04 164.92 19.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 2.69 109.301 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 3.3 pt -141.23 130.3 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 2.31 109.307 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 299' ' ' PHE . . . . . 0.429 ' O ' HG12 ' A' ' 291' ' ' VAL . 35.9 m-85 -104.42 142.83 33.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 2.3 111.032 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 300' ' ' PHE . . . . . 0.567 ' HA ' HG12 ' A' ' 291' ' ' VAL . 14.8 m-85 -126.95 98.08 5.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.451 1.095 . . . . 2.69 111.044 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 301' ' ' PHE . . . . . 0.411 ' HA ' ' CB ' ' A' ' 306' ' ' PHE . 15.8 m-85 -86.57 157.41 19.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 2.24 111.042 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -162.26 74.05 0.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 2.99 109.303 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 303' ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' A' ' 304' ' ' ARG . 1.6 m-20 49.65 88.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 3.01 109.303 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 304' ' ' ARG . . . . . 0.47 ' HB2' ' O ' ' A' ' 303' ' ' ASP . 0.2 OUTLIER 69.15 -57.6 0.52 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 4.26 110.285 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 305' ' ' PHE . . . . . 0.419 ' N ' ' O ' ' A' ' 303' ' ' ASP . 2.8 m-85 -78.09 121.66 24.57 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.573 1.171 . . . . 3.01 110.99 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 306' ' ' PHE . . . . . 0.564 ' CD2' ' O ' ' A' ' 319' ' ' ASN . 15.5 p90 -128.98 137.53 51.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 1.81 111.002 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 307' ' ' TRP . . . . . 0.532 ' CZ2' HD11 ' A' ' 286' ' ' LEU . 5.0 m-90 -91.68 146.83 23.46 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.922 -1.14 . . . . 4.3 107.922 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 308' ' ' LEU . . . . . 0.471 HD13 ' N ' ' A' ' 309' ' ' LYS . 0.7 OUTLIER -123.3 120.57 33.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 1.92 109.324 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 309' ' ' LYS . . . . . 0.471 ' N ' HD13 ' A' ' 308' ' ' LEU . 0.1 OUTLIER -146.32 114.27 6.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 2.47 109.334 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 310' ' ' VAL . . . . . 0.497 HG23 ' HA ' ' A' ' 297' ' ' LYS . 0.5 OUTLIER -136.37 -179.85 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 2.81 109.281 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 311' ' ' SER . . . . . 0.477 ' H ' HG22 ' A' ' 310' ' ' VAL . 0.5 OUTLIER -60.8 138.32 58.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 6.27 110.002 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 69.33 40.55 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 5.84 110.266 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 313' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 315' ' ' LYS . 2.5 tpt180 -128.63 94.9 33.86 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.505 1.128 . . . . 3.8 110.239 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 1.56 7.58 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.528 1.804 . . . . 3.44 111.012 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 315' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 313' ' ' ARG . 13.4 tttt -159.57 160.72 34.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 4.42 109.288 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 316' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 308' ' ' LEU . 21.5 p -115.14 151.75 33.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 1.14 110.38 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 8.7 t -115.13 119.61 36.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 1.93 109.983 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 318' ' ' VAL . . . . . 0.482 HG22 ' CD1' ' A' ' 307' ' ' TRP . 96.2 t -92.13 94.0 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.397 1.061 . . . . 2.26 109.295 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 319' ' ' ASN . . . . . 0.564 ' O ' ' CD2' ' A' ' 306' ' ' PHE . 1.0 OUTLIER -110.29 174.52 5.83 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.522 1.139 . . . . 1.95 109.307 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.17 150.06 23.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 2.19 109.335 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 321' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 324' ' ' LEU . 4.9 mt -65.42 -62.86 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 1.06 109.308 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 8.2 m -46.42 -31.03 2.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 2.17 110.005 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.55 -37.63 88.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 1.71 109.971 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 324' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 321' ' ' ILE . 14.1 tp -97.2 -73.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 3.39 109.313 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 325' ' ' TRP . . . . . 0.667 ' HB3' HD23 ' A' ' 328' ' ' LEU . 0.2 OUTLIER -60.86 151.2 74.38 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 1.89 107.955 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -74.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.419 1.747 . . . . 1.22 110.983 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 327' ' ' THR . . . . . 0.658 ' O ' HG23 ' A' ' 327' ' ' THR . 11.0 t -128.78 91.06 3.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 1.7 110.416 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 328' ' ' LEU . . . . . 0.676 HD11 HG12 ' A' ' 355' ' ' ILE . 4.4 mm? -126.89 161.64 52.28 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 1.6 109.345 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 329' ' ' PRO . . . . . 0.669 ' O ' HD11 ' A' ' 332' ' ' ILE . 18.4 Cg_endo -74.95 129.52 12.46 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.612 1.848 . . . . 2.09 110.943 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 11.6 m -88.45 136.44 32.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 2.18 109.989 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 85.01 42.92 6.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.477 1.111 . . . . 1.19 110.993 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.669 HD11 ' O ' ' A' ' 329' ' ' PRO . 22.1 mm -48.97 134.44 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 2.24 109.341 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -94.71 -24.85 16.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.44 1.087 . . . . 2.72 110.332 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -167.22 130.43 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.81 109.323 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 335' ' ' ALA . . . . . 0.425 ' HB2' HG21 ' A' ' 332' ' ' ILE . . . -130.23 143.54 50.84 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.523 1.139 . . . . 0.82 109.296 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 336' ' ' TYR . . . . . 0.461 ' CE1' ' CB ' ' A' ' 345' ' ' PHE . 13.1 p90 -153.62 125.39 7.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 3.57 111.034 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 337' ' ' GLU . . . . . 0.669 ' HG3' HG22 ' A' ' 344' ' ' VAL . 0.0 OUTLIER -109.41 167.29 10.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 4.66 110.309 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 338' ' ' ILE . . . . . . . . . . . . . 6.6 tp -150.14 124.61 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 4.29 109.345 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -74.36 -33.08 62.99 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 4.19 110.334 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -53.0 -49.36 66.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 1.59 109.203 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -93.33 -22.65 18.83 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.557 1.161 . . . . 3.57 110.366 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 24.5 t30 60.29 43.58 13.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.168 . . . . 1.91 109.352 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 343' ' ' GLN . . . . . 0.442 ' HG2' ' CD1' ' A' ' 354' ' ' LEU . 2.4 tt0 -131.35 136.96 48.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 2.47 110.289 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 344' ' ' VAL . . . . . 0.669 HG22 ' HG3' ' A' ' 337' ' ' GLU . 43.9 t -94.78 163.11 2.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 1.25 109.322 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 345' ' ' PHE . . . . . 0.538 ' CE2' HD13 ' A' ' 354' ' ' LEU . 82.1 m-85 -151.37 129.94 12.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 2.95 111.024 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.467 HD13 ' O ' ' A' ' 345' ' ' PHE . 2.7 mm? -122.61 122.73 39.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 1.91 109.303 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -99.88 144.58 28.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 2.43 110.961 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 348' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.32 123.99 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 3.28 109.311 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 4.2 t0 51.09 -151.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 3.31 109.298 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 350' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -85.93 44.69 1.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 2.91 109.319 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -155.26 150.01 26.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 2.81 109.249 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 352' ' ' TYR . . . . . 0.577 ' CD1' ' C ' ' A' ' 352' ' ' TYR . 1.0 OUTLIER -125.81 154.51 42.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 4.16 110.968 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 353' ' ' TRP . . . . . 0.695 ' NE1' ' CE1' ' A' ' 364' ' ' TYR . 6.2 m-90 -121.96 127.33 50.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 4.85 108.0 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 354' ' ' LEU . . . . . 0.588 ' C ' HD12 ' A' ' 355' ' ' ILE . 1.9 tp -114.94 111.94 21.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 2.05 109.236 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.676 HG12 HD11 ' A' ' 328' ' ' LEU . 1.3 mp -107.6 156.4 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 2.37 109.315 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 27.1 t -150.3 125.46 10.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 2.16 109.977 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 61.25 37.47 17.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 2.86 109.287 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 358' ' ' LEU . . . . . 0.467 ' O ' HD12 ' A' ' 358' ' ' LEU . 0.2 OUTLIER 63.46 33.86 13.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 3.64 109.293 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.72 135.13 17.59 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 4.09 110.279 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 360' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 140.6 25.86 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.449 1.763 . . . . 2.24 110.998 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.62 146.87 47.81 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 2.91 110.253 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 3.48 5.6 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.463 1.77 . . . . 3.22 110.976 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 363' ' ' ASN . . . . . 0.447 ' C ' ' HD2' ' A' ' 365' ' ' PRO . 0.8 OUTLIER -126.61 25.27 6.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.088 . . . . 9.85 109.304 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 364' ' ' TYR . . . . . 0.787 ' N ' ' CD ' ' A' ' 365' ' ' PRO . 0.1 OUTLIER -76.58 -31.94 0.99 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 11.98 111.013 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 365' ' ' PRO . . . . . 0.787 ' CD ' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -75.08 78.79 2.84 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.424 1.749 . . . . 2.85 110.957 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 366' ' ' LYS . . . . . 0.575 ' HB2' ' CE2' ' A' ' 352' ' ' TYR . 9.0 mttm -129.84 166.3 20.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 3.32 109.304 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 367' ' ' SER . . . . . 0.621 ' HB3' ' CD2' ' A' ' 369' ' ' HIS . 19.4 m -106.1 117.92 35.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 2.27 109.977 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 2.4 pt -57.66 -29.93 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 1.76 109.293 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 369' ' ' HIS . . . . . 0.621 ' CD2' ' HB3' ' A' ' 367' ' ' SER . 0.4 OUTLIER -52.12 -22.06 3.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 3.05 109.552 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 5.8 t -67.0 -9.82 43.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 2.67 110.023 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 371' ' ' PHE . . . . . 0.541 ' CD1' ' C ' ' A' ' 371' ' ' PHE . 0.1 OUTLIER -92.89 20.27 6.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 8.66 110.97 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . 119.81 -53.36 0.68 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.436 1.085 . . . . 4.06 111.006 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 373' ' ' PHE . . . . . 0.521 ' CG ' ' HB2' ' A' ' 369' ' ' HIS . 32.5 t80 59.14 82.14 0.24 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 0.75 . . . . 4.98 110.991 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 374' ' ' PRO . . . . . 0.629 ' HD2' HG21 ' A' ' 377' ' ' VAL . 18.1 Cg_endo -75.09 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.498 1.788 . . . . 2.44 110.977 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -107.68 64.6 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 5.08 109.32 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 172.85 38.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.146 . . . . 8.4 110.936 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 377' ' ' VAL . . . . . 0.629 HG21 ' HD2' ' A' ' 374' ' ' PRO . 64.1 t -127.75 147.46 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 2.53 109.285 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 2.4 mtmm 174.26 -36.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 4.03 109.24 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 10.4 pttt -158.36 135.62 10.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.441 1.088 . . . . 1.93 109.323 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 380' ' ' ILE . . . . . 0.518 HG22 ' N ' ' A' ' 381' ' ' ASP . 21.5 mt -100.13 167.49 2.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.89 109.317 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 381' ' ' ASP . . . . . 0.518 ' N ' HG22 ' A' ' 380' ' ' ILE . 1.1 t0 -108.53 -47.69 3.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.588 1.18 . . . . 2.49 109.273 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 382' ' ' ALA . . . . . 0.687 ' HB3' ' HD2' ' A' ' 395' ' ' PHE . . . -158.38 167.94 28.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.66 109.278 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -137.67 117.33 13.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.128 . . . . 0.91 109.325 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 384' ' ' VAL . . . . . 0.58 HG11 ' CG1' ' A' ' 432' ' ' VAL . 35.1 m -123.0 130.39 74.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.148 . . . . 3.52 109.282 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -110.54 135.59 50.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 1.78 111.007 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.57 123.62 31.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.179 . . . . 2.18 109.278 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -17.78 19.28 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.512 1.796 . . . . 1.88 110.961 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -73.83 -31.65 63.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 2.49 110.345 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -114.0 -4.21 13.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 2.95 110.941 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 53.32 19.13 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 3.73 111.042 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.03 159.08 21.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 4.14 110.285 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 43.8 m -117.96 122.79 44.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.072 . . . . 0.76 110.403 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 393' ' ' TYR . . . . . 0.435 ' HB2' ' CG2' ' A' ' 384' ' ' VAL . 10.8 m-30 -87.93 134.5 33.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.385 1.053 . . . . 2.16 111.019 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -118.42 135.02 54.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 2.18 111.022 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 395' ' ' PHE . . . . . 0.687 ' HD2' ' HB3' ' A' ' 382' ' ' ALA . 17.0 m-85 -106.14 116.19 31.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 1.19 110.999 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 396' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 398' ' ' ASN . 45.0 t -106.42 82.09 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 1.7 109.323 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 69.23 -65.32 0.3 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.549 1.155 . . . . 3.99 109.29 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 398' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 396' ' ' VAL . 46.9 p-10 -152.87 55.82 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 3.38 109.261 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -144.86 155.62 43.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 2.49 110.311 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -123.15 95.89 4.78 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.572 1.17 . . . . 2.5 111.058 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -97.36 164.89 12.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 5.24 108.002 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -149.63 117.45 6.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 2.85 110.352 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 403' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 404' ' ' ASP . 10.1 t80 -109.32 136.07 49.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 5.07 110.972 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 404' ' ' ASP . . . . . 0.596 ' O ' ' CE1' ' A' ' 403' ' ' TYR . 0.4 OUTLIER -81.81 129.13 34.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 1.81 109.267 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -98.21 -41.79 7.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 3.76 110.355 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? -71.31 -27.71 63.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 6.13 110.26 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 407' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.5 OUTLIER -98.98 -43.94 6.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 2.84 110.269 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 408' ' ' GLN . . . . . 0.471 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 2.2 tt0 83.75 31.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 3.06 110.289 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 7.2 tpt -135.66 96.62 3.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.167 . . . . 2.06 110.972 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 410' ' ' MET . . . . . 0.415 ' HB3' ' CD2' ' A' ' 403' ' ' TYR . 0.0 OUTLIER -56.67 135.36 55.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 2.1 110.986 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.87 139.33 17.06 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 2.43 109.33 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 108.67 2.77 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.573 1.828 . . . . 2.36 110.982 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 51.16 102.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 1.9 110.974 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 414' ' ' TYR . . . . . 0.576 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 2.5 t80 -135.61 63.16 52.47 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.476 0.75 . . . . 1.82 110.995 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 415' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.4 Cg_endo -75.0 71.34 5.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.555 1.819 . . . . 1.47 111.015 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 416' ' ' LYS . . . . . 0.576 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 17.2 mmtt -96.35 -174.17 2.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.15 . . . . 2.36 109.343 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.8 tp -132.92 145.22 50.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 2.33 109.327 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 418' ' ' ILE . . . . . 0.475 HG12 ' CD1' ' A' ' 395' ' ' PHE . 1.1 mp -68.62 -69.57 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.453 1.096 . . . . 1.24 109.262 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 419' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 418' ' ' ILE . 6.6 t -38.92 -31.15 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.99 110.371 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 420' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 418' ' ' ILE . 45.1 mttt -69.42 -68.73 0.39 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 1.63 109.266 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.66 -50.48 54.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 2.94 109.342 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 422' ' ' PHE . . . . . 0.528 ' HB3' ' CE2' ' A' ' 451' ' ' TYR . 67.0 m-85 -121.57 103.1 8.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 2.47 111.05 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -89.57 73.81 7.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 2.37 110.277 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 424' ' ' GLY . . . . . 0.901 ' CA ' HD11 ' A' ' 458' ' ' ILE . . . -173.11 32.64 0.11 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.481 1.113 . . . . 2.64 111.019 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 425' ' ' ILE . . . . . 0.631 HD13 ' H ' ' A' ' 426' ' ' GLY . 0.2 OUTLIER -151.27 -44.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.46 0.741 . . . . 2.22 109.315 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 426' ' ' GLY . . . . . 0.631 ' H ' HD13 ' A' ' 425' ' ' ILE . . . 120.25 166.78 13.28 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.77 111.026 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -11.63 21.41 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.542 1.811 . . . . 1.11 111.026 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.54 136.69 54.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 3.38 109.257 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 429' ' ' ILE . . . . . 0.441 HG21 ' CD2' ' A' ' 395' ' ' PHE . 7.0 tp -131.02 161.08 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 1.72 109.289 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 430' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 443' ' ' PHE . 1.0 OUTLIER -115.37 -63.84 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 2.95 109.25 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 431' ' ' ALA . . . . . 0.824 ' HB1' HG22 ' A' ' 291' ' ' VAL . . . -142.57 142.95 32.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.8 109.349 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.743 HG13 ' O ' ' A' ' 441' ' ' TYR . 11.7 t -141.92 139.28 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 2.61 109.242 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 433' ' ' PHE . . . . . 0.45 ' CE2' ' CE1' ' A' ' 443' ' ' PHE . 8.0 p90 -143.55 147.89 35.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 2.51 111.024 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -98.58 88.18 4.02 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.434 1.084 . . . . 3.56 110.995 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 10.2 p -133.04 96.31 3.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.404 1.065 . . . . 2.75 110.027 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 436' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt 174.24 -161.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 4.05 109.238 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -93.42 -36.88 12.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 3.87 109.364 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -174.82 57.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 3.05 109.32 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -144.84 161.61 38.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 2.1 110.997 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -122.69 124.03 42.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 4.56 110.99 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 441' ' ' TYR . . . . . 0.743 ' O ' HG13 ' A' ' 432' ' ' VAL . 4.6 m-85 -98.22 133.52 42.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 2.37 111.043 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 442' ' ' PHE . . . . . 0.528 ' CE2' HG21 ' A' ' 425' ' ' ILE . 82.4 m-85 -124.75 132.73 53.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 3.16 111.067 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 443' ' ' PHE . . . . . 0.45 ' CE1' ' CE2' ' A' ' 433' ' ' PHE . 9.6 m-85 -116.39 114.44 24.29 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.132 . . . . 4.78 110.991 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 444' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 425' ' ' ILE . 1.2 mt-30 -117.46 79.71 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 4.64 110.32 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 96.35 -101.86 2.7 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.459 1.1 . . . . 2.73 110.963 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 79.1 p -107.09 -48.36 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.746 . . . . 3.18 110.004 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -80.15 146.73 31.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 2.15 109.295 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 448' ' ' GLN . . . . . 0.559 ' HG3' HD23 ' A' ' 462' ' ' LEU . 0.7 OUTLIER -132.6 127.61 35.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 3.59 110.301 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 449' ' ' PHE . . . . . 0.573 ' HD2' HG21 ' A' ' 458' ' ' ILE . 6.1 m-85 -99.48 162.37 13.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 2.55 111.027 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 0.564 ' HG3' ' CE1' ' A' ' 441' ' ' TYR . 1.4 tt0 -124.79 141.77 51.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 2.96 110.269 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 451' ' ' TYR . . . . . 0.528 ' CE2' ' HB3' ' A' ' 422' ' ' PHE . 0.9 OUTLIER -106.65 137.35 44.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 2.72 110.977 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -116.25 90.43 3.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 3.74 109.294 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -48.86 -24.44 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 3.93 111.048 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 10.4 tp -42.28 -37.04 1.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 2.24 109.321 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -166.29 32.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.534 1.146 . . . . 1.99 109.333 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 41.0 69.22 0.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 3.04 110.271 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.4 154.1 50.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 3.51 110.334 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 458' ' ' ILE . . . . . 0.901 HD11 ' CA ' ' A' ' 424' ' ' GLY . 13.8 mt -117.41 102.38 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 1.61 109.276 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 3.2 t -126.24 39.11 4.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 3.13 110.448 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.51 102.89 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 3.2 109.341 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 14.6 p -133.95 119.82 19.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.092 . . . . 2.14 110.41 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 462' ' ' LEU . . . . . 0.559 HD23 ' HG3' ' A' ' 448' ' ' GLN . 0.5 OUTLIER -143.37 178.8 7.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 2.05 109.296 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.86 164.15 12.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.495 1.122 . . . . 2.54 109.275 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 1.5 t -51.69 -47.26 63.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 2.44 110.003 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -92.1 59.98 3.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 2.59 109.297 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 466' ' ' SER . . . . . 0.483 ' HB3' HD12 ' A' ' 462' ' ' LEU . 22.4 t -109.99 -12.46 14.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 2.32 110.025 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -107.28 -36.19 6.6 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.958 -1.127 . . . . 3.95 107.958 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 468' ' ' PHE . . . . . 0.459 ' CD1' HD22 ' A' ' 281' ' ' LEU . 64.6 t80 -47.75 -41.79 23.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 7.22 110.923 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 121.18 43.18 0.44 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 2.58 111.014 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 470' ' ' CYS . . . . . 1.155 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 108.288 -1.004 . . . . 3.53 108.288 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 281' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.257 -0.646 . . . . 3.05 109.257 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 282' ' ' CYS . . . . . 1.073 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 1.3 t -156.89 38.86 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 3.18 108.32 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -144.77 138.68 14.63 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 3.94 109.24 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 80.63 2.39 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.422 1.749 . . . . 2.43 110.983 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -174.43 49.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 3.06 109.299 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.53 157.49 18.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.598 1.186 . . . . 3.46 109.32 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 37.5 p -143.8 166.33 25.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 1.68 109.982 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -131.58 172.11 12.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 2.49 111.021 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.36 -52.45 2.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 2.26 109.281 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -143.79 151.13 39.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.81 109.288 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 291' ' ' VAL . . . . . . . . . . . . . 9.0 t -140.75 140.44 33.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 2.03 109.323 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 292' ' ' THR . . . . . 0.513 ' HB ' ' HB1' ' A' ' 335' ' ' ALA . 1.8 t -144.48 168.09 20.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 1.43 110.41 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 293' ' ' THR . . . . . 0.457 ' O ' ' CG ' ' A' ' 337' ' ' GLU . 51.8 m -123.19 148.39 45.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 2.67 110.383 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 294' ' ' VAL . . . . . 0.497 ' O ' HG13 ' A' ' 294' ' ' VAL . 9.8 p -137.95 67.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 2.68 109.319 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 94.4 -86.81 1.07 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.435 1.084 . . . . 2.03 110.967 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -134.35 12.66 3.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 0.747 . . . . 3.39 109.375 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.463 ' HB2' HG13 ' A' ' 294' ' ' VAL . 9.5 mtmt -109.25 164.89 12.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 2.49 109.351 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 298' ' ' ILE . . . . . 0.983 HD13 ' CZ ' ' A' ' 300' ' ' PHE . 2.4 pp -135.6 150.43 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 3.26 109.217 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 299' ' ' PHE . . . . . 0.657 ' CE2' HD23 ' A' ' 308' ' ' LEU . 24.2 m-85 -140.7 119.03 12.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 3.02 111.042 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 300' ' ' PHE . . . . . 0.983 ' CZ ' HD13 ' A' ' 298' ' ' ILE . 8.6 m-85 -106.5 108.71 20.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 2.39 111.001 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -86.91 144.96 26.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 2.76 111.021 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.15 -58.92 1.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 3.09 109.315 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -166.33 -60.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 2.94 109.271 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.44 -15.28 10.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 5.0 110.262 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -122.77 165.36 16.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 2.64 110.986 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 306' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -134.78 154.87 51.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 1.63 110.961 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 307' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -102.64 160.97 14.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 4.67 108.034 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 308' ' ' LEU . . . . . 0.657 HD23 ' CE2' ' A' ' 299' ' ' PHE . 2.2 tm? -146.64 74.06 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 1.79 109.28 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 309' ' ' LYS . . . . . 0.691 ' O ' HD11 ' A' ' 298' ' ' ILE . 13.4 tptp -103.36 92.12 4.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 2.87 109.343 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 310' ' ' VAL . . . . . 0.507 ' O ' ' CD ' ' A' ' 313' ' ' ARG . 0.6 OUTLIER -175.65 -179.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 2.64 109.293 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 311' ' ' SER . . . . . 0.489 ' H ' HG22 ' A' ' 310' ' ' VAL . 14.2 t 40.28 90.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.579 1.174 . . . . 4.72 110.032 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 312' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 311' ' ' SER . 0.4 OUTLIER 37.36 70.79 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 4.18 110.283 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 313' ' ' ARG . . . . . 0.507 ' CD ' ' O ' ' A' ' 310' ' ' VAL . 0.1 OUTLIER -115.15 106.3 51.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 3.75 110.307 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -10.61 21.23 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.529 1.805 . . . . 1.87 110.98 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -166.23 160.08 15.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 4.01 109.289 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 24.8 p -77.19 163.94 26.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 1.1 110.382 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 26.5 p -120.86 164.82 16.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 3.55 109.997 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 95.2 t -148.98 90.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 1.98 109.268 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -124.36 173.16 8.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 2.31 109.307 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 1.5 tt -90.2 153.21 20.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.148 . . . . 1.78 109.287 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 321' ' ' ILE . . . . . . . . . . . . . 2.2 mp -61.07 -67.44 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 1.3 109.377 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.76 -33.33 1.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.165 . . . . 2.78 109.989 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 3.3 t -44.08 -43.68 7.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 1.43 109.991 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 2.2 mp -103.07 -79.05 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 1.9 109.348 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 325' ' ' TRP . . . . . 0.804 ' HB3' HD23 ' A' ' 328' ' ' LEU . 0.4 OUTLIER -49.05 154.01 1.43 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 1.73 108.017 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -80.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.469 1.773 . . . . 1.11 111.006 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 327' ' ' THR . . . . . 0.656 ' C ' HD22 ' A' ' 328' ' ' LEU . 5.0 t -123.7 97.73 5.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 1.45 110.436 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 328' ' ' LEU . . . . . 0.804 HD23 ' HB3' ' A' ' 325' ' ' TRP . 4.0 mm? -132.82 152.69 80.31 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 1.99 109.342 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 329' ' ' PRO . . . . . 0.543 ' HG3' ' CE3' ' A' ' 353' ' ' TRP . 18.3 Cg_endo -75.0 132.22 15.17 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.513 1.796 . . . . 2.06 111.035 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 7.3 p -97.08 150.06 21.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 2.26 109.964 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 88.92 22.02 40.41 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.55 1.156 . . . . 1.39 111.014 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.573 HG21 HD12 ' A' ' 346' ' ' LEU . 1.9 mt -42.31 151.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 1.46 109.318 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.37 -36.45 3.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 3.88 110.335 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -132.6 110.32 10.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.96 109.354 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 335' ' ' ALA . . . . . 0.513 ' HB1' ' HB ' ' A' ' 292' ' ' THR . . . -105.57 120.02 40.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.421 1.076 . . . . 1.02 109.356 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 336' ' ' TYR . . . . . 0.428 ' CG ' ' N ' ' A' ' 337' ' ' GLU . 41.2 t80 -116.32 162.57 17.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.466 1.103 . . . . 3.93 111.065 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 337' ' ' GLU . . . . . 0.457 ' CG ' ' O ' ' A' ' 293' ' ' THR . 36.4 tp10 -133.09 130.02 38.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 3.84 110.318 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 338' ' ' ILE . . . . . 0.684 ' O ' HG23 ' A' ' 338' ' ' ILE . 9.1 tt -97.03 84.52 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.606 1.191 . . . . 4.4 109.341 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.53 68.91 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 3.44 110.345 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -157.57 -52.75 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 1.96 109.251 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.63 8.42 44.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 4.97 110.303 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 61.0 t30 55.38 68.78 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 2.11 109.328 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 343' ' ' GLN . . . . . 0.471 ' HB2' ' CG2' ' A' ' 338' ' ' ILE . 77.5 mt-30 -145.08 178.96 7.67 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.458 1.099 . . . . 2.66 110.29 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 344' ' ' VAL . . . . . . . . . . . . . 67.0 t -127.08 146.03 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 1.38 109.262 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 345' ' ' PHE . . . . . 0.407 ' O ' HD22 ' A' ' 346' ' ' LEU . 0.9 OUTLIER -126.77 129.28 48.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 2.63 110.999 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.573 HD12 HG21 ' A' ' 332' ' ' ILE . 2.3 mm? -130.64 139.47 50.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.615 1.197 . . . . 1.91 109.287 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -117.53 149.02 41.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 2.62 111.025 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 348' ' ' LYS . . . . . 0.507 ' O ' ' C ' ' A' ' 349' ' ' ASP . 9.4 ttpt -124.46 59.62 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 5.37 109.282 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 349' ' ' ASP . . . . . 0.507 ' C ' ' O ' ' A' ' 348' ' ' LYS . 20.8 m-20 32.0 49.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 6.8 109.254 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 350' ' ' ASP . . . . . 0.929 ' O ' HG23 ' A' ' 368' ' ' ILE . 0.5 OUTLIER 162.4 -72.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.535 1.147 . . . . 3.82 109.309 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 366' ' ' LYS . 16.3 mttt -104.53 159.14 15.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 2.8 109.296 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 352' ' ' TYR . . . . . 0.534 ' CD1' ' N ' ' A' ' 352' ' ' TYR . 2.1 p90 -146.36 128.02 15.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 2.87 110.943 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 353' ' ' TRP . . . . . 0.543 ' CE3' ' HG3' ' A' ' 329' ' ' PRO . 3.1 m-90 -90.3 177.8 6.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 3.57 108.031 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 354' ' ' LEU . . . . . 0.753 ' O ' HD23 ' A' ' 354' ' ' LEU . 0.4 OUTLIER -145.5 114.83 7.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 2.55 109.26 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.409 HD12 ' N ' ' A' ' 355' ' ' ILE . 5.2 mp -87.85 101.78 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 1.64 109.288 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.97 118.67 36.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 1.64 110.02 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 60.69 37.07 19.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 2.91 109.265 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 4.3 mt 68.92 35.61 2.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 4.24 109.282 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.3 116.62 2.97 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 4.59 110.345 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 360' ' ' PRO . . . . . 0.467 ' HG3' HD21 ' A' ' 328' ' ' LEU . 18.2 Cg_endo -74.95 123.72 8.12 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.576 1.829 . . . . 1.27 110.969 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -52.04 129.3 39.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 3.28 110.309 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 143.55 29.25 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.414 1.744 . . . . 2.53 110.988 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 363' ' ' ASN . . . . . . . . . . . . . 5.3 m120 60.04 61.49 1.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 4.37 109.294 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 364' ' ' TYR . . . . . 0.524 ' CG ' ' HE3' ' A' ' 366' ' ' LYS . 0.2 OUTLIER -132.9 60.58 50.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 3.65 110.934 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 365' ' ' PRO . . . . . 0.459 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -74.95 43.98 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 1.8 110.976 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 366' ' ' LYS . . . . . 0.524 ' HE3' ' CG ' ' A' ' 364' ' ' TYR . 0.1 OUTLIER -44.8 141.1 2.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 2.71 109.295 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -127.5 126.1 41.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 2.1 109.97 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 368' ' ' ILE . . . . . 0.929 HG23 ' O ' ' A' ' 350' ' ' ASP . 12.4 pt -64.62 -35.37 74.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.405 1.065 . . . . 1.79 109.32 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -33.28 75.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 2.99 109.563 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.98 -8.65 39.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 2.61 109.994 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -89.04 7.61 33.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 5.29 110.95 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . 124.55 -30.77 4.6 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.47 1.106 . . . . 3.76 110.962 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 373' ' ' PHE . . . . . . . . . . . . . 69.6 t80 55.23 94.24 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.445 0.733 . . . . 5.22 110.984 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 374' ' ' PRO . . . . . 0.561 ' HB3' ' CZ2' ' A' ' 401' ' ' TRP . 18.4 Cg_endo -75.09 -161.0 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 3.02 111.006 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 375' ' ' ASN . . . . . 0.466 ' O ' ' C ' ' A' ' 376' ' ' PHE . 83.4 m-20 -53.02 89.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 6.83 109.26 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 376' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 374' ' ' PRO . 76.1 m-85 32.68 74.97 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 4.8 110.96 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 377' ' ' VAL . . . . . 0.775 HG22 HG11 ' A' ' 396' ' ' VAL . 95.4 t -118.76 81.85 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 3.21 109.326 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 378' ' ' LYS . . . . . 0.584 ' HA ' HD11 ' A' ' 368' ' ' ILE . 0.0 OUTLIER -108.16 -19.61 13.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 4.76 109.276 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -127.3 122.54 34.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 2.54 109.289 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 60.7 mt -100.94 157.49 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.445 1.09 . . . . 1.24 109.316 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -93.78 -49.56 5.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 2.27 109.343 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 382' ' ' ALA . . . . . 0.739 ' HB2' ' HA ' ' A' ' 431' ' ' ALA . . . -158.43 164.48 36.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.79 109.31 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 383' ' ' ALA . . . . . 0.482 ' HB1' ' CE1' ' A' ' 394' ' ' PHE . . . -154.42 123.76 6.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.579 1.175 . . . . 0.63 109.32 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 384' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 385' ' ' PHE . 2.3 t -148.83 158.65 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 2.52 109.349 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 385' ' ' PHE . . . . . 0.422 ' N ' ' CG1' ' A' ' 384' ' ' VAL . 69.1 t80 -87.98 155.08 20.01 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 2.79 110.956 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -119.3 102.87 47.91 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 2.86 109.298 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 387' ' ' PRO . . . . . 0.413 ' C ' ' HG2' ' A' ' 388' ' ' ARG . 18.1 Cg_endo -75.02 49.6 2.3 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.506 1.793 . . . . 3.96 110.932 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 388' ' ' ARG . . . . . 0.413 ' HG2' ' C ' ' A' ' 387' ' ' PRO . 2.4 mmm180 -155.78 -39.52 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 3.46 110.3 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -103.32 -1.39 28.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 3.02 110.978 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 52.79 34.97 17.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 3.46 110.973 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -140.43 159.85 41.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 3.61 110.267 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 93.5 m -97.27 116.23 29.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.73 110.37 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -84.02 101.06 11.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 2.73 111.081 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 394' ' ' PHE . . . . . 0.482 ' CE1' ' HB1' ' A' ' 383' ' ' ALA . 37.1 m-85 -97.13 131.55 43.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 2.46 110.974 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -102.83 115.98 31.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 1.16 110.999 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 396' ' ' VAL . . . . . 0.775 HG11 HG22 ' A' ' 377' ' ' VAL . 11.4 t -109.98 92.92 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 2.01 109.231 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 59.0 -88.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 3.66 109.265 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 398' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 396' ' ' VAL . 48.4 t-20 -135.59 49.94 2.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 4.09 109.345 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -149.76 161.0 43.1 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.488 1.117 . . . . 3.0 110.308 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 400' ' ' TYR . . . . . 0.569 ' CE2' ' HA ' ' A' ' 418' ' ' ILE . 0.1 OUTLIER -120.32 110.55 16.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 4.48 111.009 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 401' ' ' TRP . . . . . 0.561 ' CZ2' ' HB3' ' A' ' 374' ' ' PRO . 3.9 m95 -113.75 94.67 4.95 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.982 -1.118 . . . . 5.66 107.982 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.57 121.77 28.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 3.16 110.303 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -99.85 158.3 15.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 6.38 110.95 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -99.8 122.72 43.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 2.56 109.306 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.11 -54.31 4.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 3.39 110.28 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -32.63 74.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 5.2 110.328 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.27 -43.77 11.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 2.99 110.285 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 75.97 42.8 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 2.95 110.284 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -145.64 107.42 4.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 2.03 111.016 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.26 127.92 34.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 2.08 111.077 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.74 137.4 24.85 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 2.9 109.298 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 114.96 4.15 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.452 1.764 . . . . 2.49 110.964 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 44.34 95.31 0.01 OUTLIER Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.534 1.146 . . . . 2.23 110.952 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 414' ' ' TYR . . . . . 0.444 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 1.7 t80 -134.02 63.16 61.09 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.556 0.797 . . . . 2.55 110.953 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 415' ' ' PRO . . . . . 0.416 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -75.0 76.41 3.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 1.75 111.037 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 416' ' ' LYS . . . . . 0.444 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 23.3 mmtt -89.13 -170.78 3.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 2.56 109.256 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 417' ' ' LEU . . . . . 0.482 HD22 ' HD2' ' A' ' 420' ' ' LYS . 0.0 OUTLIER -135.44 139.64 44.27 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.508 1.13 . . . . 2.47 109.244 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 418' ' ' ILE . . . . . 0.569 ' HA ' ' CE2' ' A' ' 400' ' ' TYR . 7.4 mt -70.32 -66.13 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 1.31 109.323 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 419' ' ' THR . . . . . 0.424 HG22 HD23 ' A' ' 417' ' ' LEU . 5.5 t -44.67 -47.56 10.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 1.5 110.343 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 420' ' ' LYS . . . . . 0.482 ' HD2' HD22 ' A' ' 417' ' ' LEU . 37.4 mttt -58.35 -74.7 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.097 . . . . 2.01 109.35 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -40.22 -40.54 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 3.47 109.27 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 422' ' ' PHE . . . . . 0.566 ' CE2' ' HG2' ' A' ' 456' ' ' GLN . 24.5 m-85 -142.73 118.55 10.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 3.6 111.008 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -98.68 115.09 27.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 2.47 110.326 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 157.68 -35.76 0.54 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.533 1.146 . . . . 1.52 111.014 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 425' ' ' ILE . . . . . 0.525 HD13 ' H ' ' A' ' 425' ' ' ILE . 0.0 OUTLIER -86.81 -36.95 10.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.569 0.805 . . . . 2.47 109.261 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 111.65 174.2 19.73 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.532 1.145 . . . . 1.22 110.978 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -20.3 17.07 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.481 1.779 . . . . 1.26 111.048 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -122.47 142.18 50.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 2.72 109.289 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 429' ' ' ILE . . . . . 0.56 HG12 ' CD1' ' A' ' 442' ' ' PHE . 2.6 tp -138.05 130.84 40.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.443 1.089 . . . . 1.81 109.322 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 430' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 443' ' ' PHE . 4.1 t0 -71.82 -68.18 0.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 2.24 109.25 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 431' ' ' ALA . . . . . 0.739 ' HA ' ' HB2' ' A' ' 382' ' ' ALA . . . -158.48 174.51 14.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 1.02 109.256 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.57 ' HB ' ' CD1' ' A' ' 442' ' ' PHE . 0.7 OUTLIER -159.8 164.2 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 2.45 109.344 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 433' ' ' PHE . . . . . 0.496 ' N ' ' CG2' ' A' ' 432' ' ' VAL . 4.7 p90 -152.69 145.74 24.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 2.76 111.006 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 434' ' ' TYR . . . . . 0.427 ' O ' ' CG ' ' A' ' 434' ' ' TYR . 22.2 t80 -109.35 80.2 1.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 3.23 110.988 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 22.6 t -112.27 -19.06 12.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 2.89 110.061 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 436' ' ' LYS . . . . . 0.583 ' HG2' ' CE1' ' A' ' 441' ' ' TYR . 0.1 OUTLIER -65.13 -168.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 5.52 109.313 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -85.46 -46.54 10.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 3.46 109.308 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 438' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 438' ' ' LYS . 3.8 tppp? -163.74 61.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 3.95 109.279 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -146.27 176.38 9.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 2.32 111.034 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -134.14 103.05 5.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 3.7 110.995 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 441' ' ' TYR . . . . . 0.583 ' CE1' ' HG2' ' A' ' 436' ' ' LYS . 4.3 m-85 -93.21 117.72 30.4 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.112 . . . . 2.76 110.979 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 442' ' ' PHE . . . . . 0.57 ' CD1' ' HB ' ' A' ' 432' ' ' VAL . 50.2 m-85 -110.16 142.89 41.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 3.17 110.973 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 443' ' ' PHE . . . . . 0.538 ' CZ ' ' HG3' ' A' ' 448' ' ' GLN . 17.6 m-85 -111.88 108.72 18.2 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.461 1.101 . . . . 4.32 110.969 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -110.19 80.24 1.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 3.17 110.316 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 84.72 -116.09 4.22 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.562 1.164 . . . . 2.05 110.993 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 17.7 p -109.72 43.83 1.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 0.791 . . . . 1.94 110.048 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -150.03 138.75 20.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 2.78 109.325 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 448' ' ' GLN . . . . . 0.725 ' NE2' HD21 ' A' ' 462' ' ' LEU . 0.1 OUTLIER -124.39 94.76 4.3 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.48 1.112 . . . . 3.88 110.263 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 449' ' ' PHE . . . . . 0.556 ' HB2' ' CE1' ' A' ' 451' ' ' TYR . 73.5 m-85 -80.69 143.45 33.01 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.508 1.13 . . . . 2.93 111.044 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 0.532 ' HG2' ' CZ ' ' A' ' 441' ' ' TYR . 1.2 mt-10 -100.68 106.03 17.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 5.79 110.353 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 451' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 449' ' ' PHE . 36.2 m-85 -98.41 172.05 7.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 9.21 111.037 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -154.72 93.23 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 2.94 109.237 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 453' ' ' PHE . . . . . 0.5 ' CD1' ' C ' ' A' ' 453' ' ' PHE . 2.2 t80 -49.24 -20.6 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 4.4 110.999 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 49.2 tp -42.69 -27.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.598 1.186 . . . . 3.52 109.324 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.437 ' N ' ' C ' ' A' ' 453' ' ' PHE . 1.8 pt? -161.29 27.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 2.64 109.295 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 456' ' ' GLN . . . . . 0.566 ' HG2' ' CE2' ' A' ' 422' ' ' PHE . 9.7 mp0 39.24 61.15 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 3.52 110.306 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -146.0 151.72 38.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 5.36 110.295 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 4.0 mt -92.63 147.65 5.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 2.04 109.32 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.29 -39.99 4.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 2.49 110.413 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 460' ' ' LYS . . . . . 0.46 ' C ' ' CG2' ' A' ' 461' ' ' THR . 0.0 OUTLIER -158.75 176.34 12.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 5.41 109.25 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 461' ' ' THR . . . . . 0.46 ' CG2' ' C ' ' A' ' 460' ' ' LYS . 5.8 p -150.68 122.41 8.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.581 1.176 . . . . 2.53 110.385 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 462' ' ' LEU . . . . . 0.859 HD12 ' CB ' ' A' ' 466' ' ' SER . 2.3 pt? -125.63 161.31 27.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 1.92 109.339 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.44 148.78 25.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 2.54 109.35 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 3.1 t -47.17 -28.57 1.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 2.24 109.951 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -96.46 58.18 1.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 3.36 109.272 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 466' ' ' SER . . . . . 0.859 ' CB ' HD12 ' A' ' 462' ' ' LEU . 0.4 OUTLIER -116.73 -9.75 11.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 2.53 110.01 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 17.2 m95 -105.8 -58.89 1.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.999 -1.111 . . . . 3.96 107.999 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 468' ' ' PHE . . . . . 0.524 ' CD1' ' HB2' ' A' ' 470' ' ' CYS . 2.7 t80 -42.22 -50.4 4.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 6.97 110.958 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 123.49 44.37 0.32 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.555 1.159 . . . . 2.3 110.995 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 470' ' ' CYS . . . . . 1.073 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 N-CA-C 108.306 -0.998 . . . . 3.67 108.306 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 281' ' ' LEU . . . . . 0.681 HD22 ' CE2' ' A' ' 468' ' ' PHE . 14.4 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.331 -0.618 . . . . 3.83 109.331 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 282' ' ' CYS . . . . . 1.06 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 0.8 OUTLIER 159.28 51.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.445 1.091 . . . . 3.44 108.282 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -178.79 123.78 0.24 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 3.03 109.298 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 87.06 1.36 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.519 1.8 . . . . 2.05 111.039 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 285' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 285' ' ' ASN . 13.1 p-10 178.96 45.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 3.28 109.283 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 3.1 tp -92.25 141.34 28.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 2.44 109.249 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 35.0 p -128.45 148.92 50.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 1.68 109.939 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -128.13 178.44 6.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.557 1.161 . . . . 2.55 110.965 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -106.21 -50.81 3.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 2.78 109.278 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -143.74 137.0 27.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.8 109.331 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 291' ' ' VAL . . . . . 0.511 ' H ' ' HB1' ' A' ' 431' ' ' ALA . 97.2 t -130.79 131.36 64.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 2.88 109.327 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 6.0 t -154.62 158.08 39.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 1.88 110.379 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 293' ' ' THR . . . . . 0.648 HG21 ' HA ' ' A' ' 435' ' ' SER . 14.6 t -106.47 160.03 15.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 2.6 110.38 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 294' ' ' VAL . . . . . 0.77 HG23 ' HB2' ' A' ' 297' ' ' LYS . 21.2 m -149.26 70.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.575 1.172 . . . . 3.5 109.314 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 295' ' ' GLY . . . . . 0.475 ' O ' ' CB ' ' A' ' 296' ' ' ASN . . . 78.08 48.46 7.62 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.424 1.077 . . . . 3.42 110.965 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 296' ' ' ASN . . . . . 0.671 ' O ' HG21 ' A' ' 310' ' ' VAL . 0.2 OUTLIER 80.17 4.51 1.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.759 . . . . 4.25 109.303 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.77 ' HB2' HG23 ' A' ' 294' ' ' VAL . 3.8 mtmm -99.71 115.17 28.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 2.45 109.263 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -86.44 133.52 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 3.9 109.233 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 299' ' ' PHE . . . . . 0.452 ' CE1' HG21 ' A' ' 294' ' ' VAL . 6.0 m-85 -127.32 83.67 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 3.06 110.971 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 300' ' ' PHE . . . . . 0.424 ' HB2' ' CB ' ' A' ' 307' ' ' TRP . 16.2 m-85 -83.64 104.67 13.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 3.81 110.993 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -81.52 143.5 31.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 2.41 111.043 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 11.6 mmtp -109.42 -60.49 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 4.3 109.318 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -166.15 -60.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 2.71 109.309 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.03 -18.53 11.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 4.15 110.279 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 305' ' ' PHE . . . . . 0.529 ' CE1' HD12 ' A' ' 320' ' ' LEU . 20.2 m-85 -124.2 166.92 15.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 2.68 110.982 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 306' ' ' PHE . . . . . 0.525 ' CE2' ' HB3' ' A' ' 319' ' ' ASN . 25.2 p90 -121.54 171.04 9.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 1.73 110.992 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 307' ' ' TRP . . . . . 0.464 ' CE2' ' CB ' ' A' ' 316' ' ' THR . 0.0 OUTLIER -119.41 139.43 52.04 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.009 -1.108 . . . . 5.44 108.009 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 56.3 tp -146.71 112.76 5.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 2.37 109.355 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.83 105.32 2.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 2.31 109.332 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 310' ' ' VAL . . . . . 0.671 HG21 ' O ' ' A' ' 296' ' ' ASN . 0.3 OUTLIER -170.65 -73.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 2.49 109.259 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 311' ' ' SER . . . . . 0.633 ' H ' HG13 ' A' ' 310' ' ' VAL . 31.1 t -36.15 -76.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.598 1.186 . . . . 4.89 110.05 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.03 76.15 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 7.2 110.3 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.3 132.1 23.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 4.12 110.264 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.57 3.7 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.498 1.788 . . . . 3.02 111.031 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 315' ' ' LYS . . . . . 0.403 ' HG2' ' CE2' ' A' ' 468' ' ' PHE . 0.0 OUTLIER -142.09 164.72 29.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 3.45 109.286 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 316' ' ' THR . . . . . 0.464 ' CB ' ' CE2' ' A' ' 307' ' ' TRP . 62.8 p -82.38 126.64 32.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 2.18 110.429 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 16.8 m -99.83 141.73 32.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 2.29 109.989 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 11.8 m -103.57 70.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 2.6 109.261 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 319' ' ' ASN . . . . . 0.525 ' HB3' ' CE2' ' A' ' 306' ' ' PHE . 2.3 m-20 -81.62 162.87 22.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 2.44 109.318 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.529 HD12 ' CE1' ' A' ' 305' ' ' PHE . 0.8 OUTLIER -88.99 153.51 20.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 1.93 109.269 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 321' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.13 -68.34 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 1.1 109.318 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 32.4 t -40.67 -33.05 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 2.85 109.962 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 1.4 t -44.19 -44.24 7.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 1.89 110.011 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 7.2 mt -102.23 -79.83 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 2.43 109.303 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 325' ' ' TRP . . . . . 0.779 ' HB3' HD23 ' A' ' 328' ' ' LEU . 0.2 OUTLIER -47.45 151.71 1.33 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 1.79 108.026 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 -76.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.527 1.804 . . . . 1.55 111.006 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 327' ' ' THR . . . . . 0.77 ' O ' HD22 ' A' ' 328' ' ' LEU . 10.0 t -122.85 95.95 4.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 1.47 110.416 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 328' ' ' LEU . . . . . 0.86 HD11 HD11 ' A' ' 355' ' ' ILE . 4.5 mm? -130.22 155.4 80.91 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 1.73 109.25 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 329' ' ' PRO . . . . . 0.406 ' HG2' ' CD1' ' A' ' 332' ' ' ILE . 18.3 Cg_endo -74.97 125.06 9.1 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.539 1.81 . . . . 2.19 110.991 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 66.5 m -81.46 142.99 32.41 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.515 1.135 . . . . 2.28 110.003 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 76.16 40.85 28.3 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.123 . . . . 1.18 110.955 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.765 HG13 HD12 ' A' ' 346' ' ' LEU . 33.2 mm -41.84 152.97 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 2.35 109.35 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -100.26 -47.67 4.86 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.437 1.086 . . . . 3.4 110.291 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -144.85 118.62 9.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.91 109.292 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -114.12 136.95 52.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 1.26 109.3 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 336' ' ' TYR . . . . . 0.517 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 9.8 p90 -154.93 126.22 7.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 2.85 111.006 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.81 150.61 20.51 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 1.149 . . . . 3.81 110.306 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 338' ' ' ILE . . . . . 0.575 ' O ' HG23 ' A' ' 338' ' ' ILE . 13.9 tt -119.37 102.23 12.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 3.06 109.294 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -78.2 81.71 4.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 4.09 110.306 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -163.01 -59.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 1.83 109.323 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -103.86 0.55 30.38 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.417 1.073 . . . . 5.71 110.311 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 2.6 t30 60.01 56.57 3.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 2.26 109.333 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 343' ' ' GLN . . . . . 0.586 ' NE2' HD11 ' A' ' 354' ' ' LEU . 14.5 mt-30 -124.99 131.34 53.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 2.75 110.334 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 344' ' ' VAL . . . . . 0.583 HG12 ' CD2' ' A' ' 346' ' ' LEU . 17.9 t -96.7 141.86 14.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.415 1.072 . . . . 1.15 109.327 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 345' ' ' PHE . . . . . 0.688 ' C ' HD22 ' A' ' 346' ' ' LEU . 37.0 m-85 -126.2 125.42 42.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 3.29 111.004 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.765 HD12 HG13 ' A' ' 332' ' ' ILE . 4.1 mm? -123.82 114.31 19.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 1.43 109.259 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -88.24 141.37 28.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 2.55 111.011 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 348' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.0 OUTLIER -161.4 114.91 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 3.37 109.277 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 55.49 -149.35 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 4.3 109.287 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 350' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 12.0 p-10 -88.71 41.05 1.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 3.0 109.357 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 366' ' ' LYS . 25.9 mtmt -155.87 153.32 29.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 2.14 109.341 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 352' ' ' TYR . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 366' ' ' LYS . 24.3 p90 -145.38 138.63 26.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 2.66 111.04 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -97.81 166.59 11.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 3.73 107.98 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 354' ' ' LEU . . . . . 0.586 HD11 ' NE2' ' A' ' 343' ' ' GLN . 4.6 tp -132.18 120.45 22.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 2.36 109.268 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.86 HD11 HD11 ' A' ' 328' ' ' LEU . 4.6 mp -97.73 99.03 8.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 1.65 109.311 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 15.1 t -102.13 125.71 48.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 2.3 109.988 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 60.57 42.4 14.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 3.84 109.291 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 1.9 mt 59.54 39.8 21.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 4.74 109.27 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -152.4 122.46 3.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 4.61 110.329 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 360' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 361' ' ' GLU . 18.2 Cg_endo -74.98 111.32 3.3 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.775 . . . . 1.31 110.921 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 361' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 360' ' ' PRO . 3.6 mm-40 -36.96 126.79 0.78 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.102 . . . . 3.06 110.277 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 128.49 11.58 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.431 1.753 . . . . 2.41 110.986 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 363' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 62.55 60.49 1.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 4.39 109.321 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 364' ' ' TYR . . . . . 0.511 ' N ' ' HD3' ' A' ' 365' ' ' PRO . 1.4 t80 -135.27 58.09 24.3 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 3.47 110.967 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 365' ' ' PRO . . . . . 0.511 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.1 Cg_endo -75.01 53.16 3.26 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.502 1.79 . . . . 1.68 110.936 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 366' ' ' LYS . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 352' ' ' TYR . 9.3 mmpt? -48.77 133.68 17.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.451 1.094 . . . . 2.3 109.325 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 3.7 m -115.39 127.72 55.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 2.43 110.071 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 368' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 372' ' ' GLY . 20.7 pt -49.52 -29.81 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 1.69 109.306 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 369' ' ' HIS . . . . . 0.45 ' HA ' ' CB ' ' A' ' 373' ' ' PHE . 53.1 t-80 -60.66 -32.22 71.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 3.71 109.597 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 4.4 p -48.46 -22.93 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 3.46 110.036 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 175.52 59.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 6.49 110.922 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 372' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 368' ' ' ILE . . . -170.42 -68.01 0.04 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.453 1.096 . . . . 2.76 110.985 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 373' ' ' PHE . . . . . 0.485 ' CZ ' ' O ' ' A' ' 377' ' ' VAL . 2.5 t80 -44.42 102.94 0.31 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.436 0.727 . . . . 7.05 111.004 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 374' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -62.51 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.521 1.801 . . . . 3.73 111.038 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 2.0 t30 169.66 43.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 7.12 109.343 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 376' ' ' PHE . . . . . 0.417 ' O ' ' O ' ' A' ' 377' ' ' VAL . 3.0 t80 -166.18 -54.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 4.97 111.01 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 377' ' ' VAL . . . . . 0.485 ' O ' ' CZ ' ' A' ' 373' ' ' PHE . 2.2 p -42.87 164.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 2.07 109.216 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.38 -38.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 4.08 109.29 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.29 131.11 25.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 1.76 109.289 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 13.8 mt -100.62 146.71 8.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.94 109.282 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.1 -46.02 9.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 2.3 109.315 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 382' ' ' ALA . . . . . 0.886 ' HB1' HG22 ' A' ' 432' ' ' VAL . . . -156.62 165.04 37.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 1.02 109.261 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -167.1 132.33 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 1.26 109.297 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 384' ' ' VAL . . . . . 0.463 HG22 ' H ' ' A' ' 385' ' ' PHE . 8.0 p -134.28 168.94 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 2.08 109.294 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 385' ' ' PHE . . . . . 0.486 ' CZ ' HD11 ' A' ' 338' ' ' ILE . 22.7 t80 -125.11 136.41 53.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.133 . . . . 1.78 111.002 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 386' ' ' ASN . . . . . 0.434 ' HB3' ' CB ' ' A' ' 389' ' ' PHE . 0.6 OUTLIER -101.47 122.37 48.22 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 2.08 109.333 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -33.02 4.92 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.468 1.773 . . . . 2.18 111.058 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.06 26.08 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 3.63 110.26 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 389' ' ' PHE . . . . . 0.593 ' C ' ' CG ' ' A' ' 390' ' ' TYR . 2.2 t80 -151.87 -37.01 0.12 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.396 1.06 . . . . 4.14 111.027 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 390' ' ' TYR . . . . . 0.593 ' CG ' ' C ' ' A' ' 389' ' ' PHE . 2.0 m-85 73.51 46.11 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 2.36 110.956 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 391' ' ' ARG . . . . . 0.453 ' NH1' ' OD2' ' A' ' 404' ' ' ASP . 22.2 mtt-85 -148.52 156.29 42.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 4.78 110.372 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 392' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' A' ' 384' ' ' VAL . 20.4 m -117.27 122.44 43.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 1.17 110.446 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -78.79 153.07 31.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 2.34 111.01 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -128.03 110.29 12.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 2.83 110.945 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 395' ' ' PHE . . . . . 0.725 ' CE2' HG21 ' A' ' 432' ' ' VAL . 61.0 m-85 -97.48 116.09 29.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 1.04 110.972 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 95.7 t -135.55 124.04 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 2.05 109.313 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 1.5 t0 47.18 -149.95 0.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 4.97 109.274 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 398' ' ' ASN . . . . . 0.487 ' O ' ' CD1' ' A' ' 417' ' ' LEU . 4.8 m120 -84.01 50.01 1.75 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.519 1.137 . . . . 4.19 109.321 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -144.52 155.44 43.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 3.69 110.244 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -121.7 119.33 31.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 2.2 110.949 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -115.38 166.7 11.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 5.82 108.034 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -155.35 129.1 8.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.406 1.066 . . . . 3.02 110.377 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -108.18 148.95 29.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 4.64 111.015 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 404' ' ' ASP . . . . . 0.453 ' OD2' ' NH1' ' A' ' 391' ' ' ARG . 0.2 OUTLIER -95.45 129.23 42.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.148 . . . . 2.52 109.323 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -89.75 -48.35 7.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 3.11 110.317 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -62.55 -67.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 7.16 110.272 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -59.7 -41.71 91.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 2.72 110.279 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 74.09 46.77 0.17 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.15 . . . . 4.39 110.353 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 11.0 tpt -143.98 102.81 3.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.138 . . . . 3.1 110.999 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.83 127.01 19.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 2.53 111.046 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 12.4 p30 -48.15 135.78 11.76 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 5.07 109.255 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 108.23 2.67 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 2.31 110.994 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 50.14 101.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.548 1.155 . . . . 2.08 111.005 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 414' ' ' TYR . . . . . 0.544 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 2.6 t80 -137.39 63.02 40.12 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.428 0.722 . . . . 1.98 110.982 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 415' ' ' PRO . . . . . 0.417 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.5 Cg_endo -74.94 69.01 5.61 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.515 1.797 . . . . 1.72 111.012 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 416' ' ' LYS . . . . . 0.544 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 2.1 mmtm -87.94 -171.2 3.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 3.79 109.286 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 417' ' ' LEU . . . . . 0.487 ' CD1' ' O ' ' A' ' 398' ' ' ASN . 9.7 tp -130.79 142.99 50.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 2.34 109.347 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 418' ' ' ILE . . . . . 0.857 HG22 HD11 ' A' ' 425' ' ' ILE . 1.5 mp -70.25 -72.59 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.585 1.178 . . . . 1.05 109.297 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 419' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 418' ' ' ILE . 0.2 OUTLIER -33.53 -44.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 1.28 110.449 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -58.35 -67.57 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 1.6 109.27 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -41.95 -50.84 4.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 2.13 109.271 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 422' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -130.1 106.72 8.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 2.7 111.053 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -84.57 109.23 17.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 1.84 110.257 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 146.92 -28.51 1.57 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.546 1.153 . . . . 1.31 110.964 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 425' ' ' ILE . . . . . 0.857 HD11 HG22 ' A' ' 418' ' ' ILE . 51.0 pt -81.85 -42.75 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 2.21 109.338 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 426' ' ' GLY . . . . . 0.41 ' N ' HG13 ' A' ' 425' ' ' ILE . . . 120.95 170.98 14.21 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.573 1.171 . . . . 1.02 110.932 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 427' ' ' PRO . . . . . 0.442 ' O ' ' CD1' ' A' ' 418' ' ' ILE . 18.5 Cg_endo -74.94 -30.21 7.52 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.472 1.775 . . . . 1.42 111.021 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.34 146.82 38.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 2.61 109.322 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 429' ' ' ILE . . . . . 0.436 HD13 ' HD2' ' A' ' 442' ' ' PHE . 11.1 tp -132.21 157.69 43.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 1.69 109.321 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.63 -69.44 0.86 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 2.16 109.252 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 431' ' ' ALA . . . . . 0.537 ' O ' HG13 ' A' ' 432' ' ' VAL . . . -131.02 158.03 41.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.76 109.297 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.886 HG22 ' HB1' ' A' ' 382' ' ' ALA . 27.0 m -157.34 137.09 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.567 1.167 . . . . 2.91 109.268 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -153.64 172.92 16.48 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.447 1.092 . . . . 2.92 110.955 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -121.72 100.21 6.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 3.72 111.014 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 435' ' ' SER . . . . . 0.648 ' HA ' HG21 ' A' ' 293' ' ' THR . 0.4 OUTLIER -112.68 -27.8 8.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 2.48 110.032 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 436' ' ' LYS . . . . . 0.431 ' HG2' ' CE2' ' A' ' 441' ' ' TYR . 7.9 mmtt -66.6 -169.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 3.77 109.328 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -89.45 -45.36 9.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 3.88 109.266 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 438' ' ' LYS . . . . . 0.59 ' O ' ' CD1' ' A' ' 439' ' ' TYR . 0.0 OUTLIER -153.61 63.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 4.15 109.27 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 439' ' ' TYR . . . . . 0.59 ' CD1' ' O ' ' A' ' 438' ' ' LYS . 18.8 m-85 -148.64 -179.65 7.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 2.8 111.006 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -134.14 123.98 25.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 3.39 111.025 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 441' ' ' TYR . . . . . 0.577 ' CE1' ' HG3' ' A' ' 450' ' ' GLU . 4.2 m-85 -97.21 124.7 41.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 2.88 110.967 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 442' ' ' PHE . . . . . 0.492 ' CE2' HD12 ' A' ' 425' ' ' ILE . 7.2 m-85 -129.56 142.07 50.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 3.52 111.029 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 443' ' ' PHE . . . . . 0.551 ' CD1' ' C ' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -148.82 145.25 27.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 4.98 110.945 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -157.22 92.29 1.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 5.36 110.3 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 119.85 -83.04 0.35 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 1.76 110.98 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 4.9 p -162.08 41.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 1.81 110.066 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -141.21 136.86 32.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 2.33 109.323 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 448' ' ' GLN . . . . . 0.518 ' CB ' HD21 ' A' ' 462' ' ' LEU . 1.2 mt-30 -113.88 96.68 5.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 2.85 110.338 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 449' ' ' PHE . . . . . 0.854 ' CE1' HG22 ' A' ' 461' ' ' THR . 76.8 m-85 -99.64 148.47 24.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 2.96 111.036 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 0.577 ' HG3' ' CE1' ' A' ' 441' ' ' TYR . 0.3 OUTLIER -127.44 126.96 43.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 3.55 110.274 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 451' ' ' TYR . . . . . 0.404 ' O ' ' OE1' ' A' ' 450' ' ' GLU . 0.5 OUTLIER -89.3 164.22 15.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 2.85 111.001 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -141.98 106.85 4.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 3.51 109.315 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -57.91 -20.1 34.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 3.35 110.973 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 18.6 tp -42.23 -38.36 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 2.65 109.308 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.596 HD23 ' N ' ' A' ' 455' ' ' LEU . 1.5 pt? -170.71 33.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 2.8 109.24 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 49.39 56.03 8.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 3.06 110.281 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.92 129.62 52.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.15 . . . . 5.68 110.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 90.6 mt -98.19 102.47 13.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 1.95 109.272 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 19.7 p -107.53 51.3 0.75 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 3.19 110.46 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.5 114.34 2.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 4.17 109.292 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 461' ' ' THR . . . . . 0.854 HG22 ' CE1' ' A' ' 449' ' ' PHE . 21.8 p -142.74 71.96 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 2.52 110.437 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 462' ' ' LEU . . . . . 0.518 HD21 ' CB ' ' A' ' 448' ' ' GLN . 1.7 pt? -106.88 162.97 13.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 2.12 109.265 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.45 149.8 21.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 2.56 109.321 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 47.4 t -41.1 -49.42 3.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 1.54 109.954 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 50.4 m-20 -88.16 62.88 6.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 3.15 109.274 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 466' ' ' SER . . . . . 0.515 ' OG ' HD12 ' A' ' 462' ' ' LEU . 2.6 t -113.29 -13.04 12.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 2.51 109.981 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -104.23 -49.07 3.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 4.19 108.059 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 468' ' ' PHE . . . . . 0.681 ' CE2' HD22 ' A' ' 281' ' ' LEU . 8.8 t80 -48.53 -53.15 19.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 7.32 110.96 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 110.54 71.68 0.66 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.559 1.162 . . . . 2.26 110.943 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 470' ' ' CYS . . . . . 1.06 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 N-CA-C 108.305 -0.998 . . . . 3.34 108.305 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 281' ' ' LEU . . . . . 0.83 HD22 ' HB3' ' A' ' 468' ' ' PHE . 12.2 mt . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.286 -0.635 . . . . 2.92 109.286 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 282' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.94 -60.21 1.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 3.4 108.265 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -60.18 138.03 91.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 3.59 109.371 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 85.03 1.58 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.474 1.776 . . . . 2.6 110.979 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -164.71 34.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 3.82 109.276 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 4.0 tp -103.93 140.22 38.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 3.01 109.295 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 38.5 p -146.18 164.93 30.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 1.42 109.974 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -129.17 176.63 7.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.75 111.011 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -118.3 -54.12 2.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 2.17 109.235 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 290' ' ' ALA . . . . . 0.889 ' HB2' ' O ' ' A' ' 333' ' ' GLU . . . -153.34 155.11 35.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 1.11 109.362 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 291' ' ' VAL . . . . . 1.005 HG21 ' CZ ' ' A' ' 442' ' ' PHE . 13.7 m -147.12 160.49 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 2.17 109.274 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 292' ' ' THR . . . . . 0.51 ' HB ' ' HB1' ' A' ' 335' ' ' ALA . 4.7 t -153.3 133.86 13.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 1.72 110.361 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -102.18 141.89 34.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.561 1.163 . . . . 2.13 110.424 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 294' ' ' VAL . . . . . 0.67 HG22 ' OE1' ' A' ' 337' ' ' GLU . 53.0 t -141.34 83.71 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 2.13 109.26 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 98.06 -114.71 5.08 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.454 1.096 . . . . 1.57 111.057 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -116.53 14.5 15.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 0.745 . . . . 3.42 109.366 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -117.43 147.94 42.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 3.56 109.318 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 298' ' ' ILE . . . . . 0.881 ' H ' HG11 ' A' ' 310' ' ' VAL . 6.4 mm -117.18 158.9 17.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 3.99 109.281 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -133.08 124.24 27.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 2.67 111.032 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 300' ' ' PHE . . . . . 0.729 ' HA ' HG12 ' A' ' 291' ' ' VAL . 84.0 m-85 -114.34 126.67 55.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 2.59 111.024 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -113.64 150.51 33.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 2.09 110.995 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 302' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 305' ' ' PHE . 0.0 OUTLIER -149.08 87.63 1.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 2.97 109.343 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 66.9 -78.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 2.72 109.32 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.44 -36.34 2.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.4 1.063 . . . . 5.15 110.328 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 305' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 302' ' ' LYS . 46.2 m-85 -86.08 144.67 27.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 3.09 110.986 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 306' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -123.42 135.3 54.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 1.7 111.003 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 307' ' ' TRP . . . . . 0.51 ' CZ3' ' N ' ' A' ' 318' ' ' VAL . 1.3 m95 -87.84 169.7 11.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 5.91 108.074 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 308' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 308' ' ' LEU . 0.2 OUTLIER -155.27 116.6 3.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 1.97 109.344 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 309' ' ' LYS . . . . . 0.506 ' HD3' HG22 ' A' ' 316' ' ' THR . 8.8 tptp -151.1 95.25 2.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.428 1.08 . . . . 2.21 109.314 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 310' ' ' VAL . . . . . 0.881 HG11 ' H ' ' A' ' 298' ' ' ILE . 7.1 p -175.46 168.92 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 2.07 109.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 311' ' ' SER . . . . . 0.545 ' N ' HG22 ' A' ' 310' ' ' VAL . 34.2 t 45.05 90.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 3.93 109.985 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 312' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 311' ' ' SER . 8.3 pt-20 35.74 73.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 4.57 110.32 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.72 103.3 53.88 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 4.18 110.263 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -26.44 11.09 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.463 1.77 . . . . 1.96 111.006 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -150.03 146.14 26.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 4.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 316' ' ' THR . . . . . 0.506 HG22 ' HD3' ' A' ' 309' ' ' LYS . 10.7 p -83.69 158.37 21.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 1.17 110.407 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.98 116.23 18.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.457 1.098 . . . . 1.94 110.01 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 318' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 318' ' ' VAL . 7.9 p -98.67 100.14 9.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 3.1 109.244 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -122.62 175.97 6.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 2.63 109.305 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.49 160.72 20.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.085 . . . . 1.78 109.355 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 321' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 322' ' ' SER . 8.3 mt -70.2 -60.82 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 1.23 109.317 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 322' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 325' ' ' TRP . 4.3 m -38.04 -47.03 1.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 1.72 110.049 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 17.5 m -39.79 -38.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 1.53 110.028 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.21 -85.6 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 2.83 109.25 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 325' ' ' TRP . . . . . 0.615 ' HB3' HD23 ' A' ' 328' ' ' LEU . 0.1 OUTLIER -58.72 151.09 54.74 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 2.18 107.967 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -66.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 1.03 111.009 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 327' ' ' THR . . . . . 0.647 ' O ' HD22 ' A' ' 328' ' ' LEU . 0.0 OUTLIER -122.72 94.34 4.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 1.63 110.356 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 328' ' ' LEU . . . . . 0.647 HD22 ' O ' ' A' ' 327' ' ' THR . 1.8 mm? -124.74 153.63 70.32 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 1.43 109.317 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 133.57 16.76 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.553 1.817 . . . . 2.1 111.038 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 2.0 m -84.55 130.78 34.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 2.28 109.962 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 85.33 51.0 3.85 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.108 . . . . 1.31 110.936 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.747 HG21 HD12 ' A' ' 346' ' ' LEU . 3.5 mp -53.78 140.03 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 1.87 109.356 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 333' ' ' GLU . . . . . 0.889 ' O ' ' HB2' ' A' ' 290' ' ' ALA . 10.4 mm-40 -104.13 -53.39 2.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.55 1.156 . . . . 2.85 110.345 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 334' ' ' ALA . . . . . 1.009 ' HB1' ' HB2' ' A' ' 383' ' ' ALA . . . -127.78 110.77 12.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 1.32 109.339 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 335' ' ' ALA . . . . . 0.51 ' HB1' ' HB ' ' A' ' 292' ' ' THR . . . -109.59 115.13 29.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 1.11 109.296 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 336' ' ' TYR . . . . . 0.508 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 13.2 p90 -148.75 125.14 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 3.56 110.96 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 337' ' ' GLU . . . . . 0.67 ' OE1' HG22 ' A' ' 294' ' ' VAL . 0.9 OUTLIER -94.75 160.38 14.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 3.76 110.285 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 338' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 338' ' ' ILE . 4.0 mp -99.97 85.08 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 4.84 109.304 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.65 76.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 3.52 110.311 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 340' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 338' ' ' ILE . . . -158.9 -53.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 1.95 109.284 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -108.73 14.16 24.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 3.75 110.273 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 3.3 t30 58.91 63.22 1.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 2.11 109.292 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -126.77 179.95 5.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 4.07 110.286 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 344' ' ' VAL . . . . . . . . . . . . . 3.8 t -141.27 153.46 20.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 1.61 109.259 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 345' ' ' PHE . . . . . 0.606 ' C ' HD22 ' A' ' 346' ' ' LEU . 0.2 OUTLIER -147.75 137.16 22.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 3.07 110.99 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.747 HD12 HG21 ' A' ' 332' ' ' ILE . 3.5 mm? -131.44 159.91 36.69 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.442 1.089 . . . . 1.74 109.324 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -136.44 146.16 46.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 2.98 111.043 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 348' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.3 OUTLIER -167.95 130.2 1.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 3.05 109.246 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.8 t70 54.32 -150.31 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 3.18 109.287 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 350' ' ' ASP . . . . . 0.499 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 7.1 t0 -88.25 41.62 1.02 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 3.6 109.25 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 19.3 mttp -155.91 155.43 32.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 2.3 109.336 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 352' ' ' TYR . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 366' ' ' LYS . 26.3 p90 -138.93 136.08 35.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 2.88 111.016 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -102.4 170.58 7.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 4.06 107.988 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 354' ' ' LEU . . . . . 0.691 ' C ' HD12 ' A' ' 355' ' ' ILE . 0.0 OUTLIER -148.23 137.73 22.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 4.01 109.285 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.691 HD12 ' C ' ' A' ' 354' ' ' LEU . 1.7 mp -112.59 125.68 69.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 1.32 109.29 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 356' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 358' ' ' LEU . 0.5 OUTLIER -94.43 92.94 7.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 1.89 110.003 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 357' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 356' ' ' SER . 0.7 OUTLIER 70.29 -58.14 0.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 4.04 109.317 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 358' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 356' ' ' SER . 4.0 tp -147.87 -52.53 0.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 3.71 109.264 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -89.35 121.35 69.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 4.72 110.297 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 360' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -162.03 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.473 1.775 . . . . 2.21 110.969 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 361' ' ' GLU . . . . . 0.425 ' HG3' HD11 ' A' ' 354' ' ' LEU . 3.4 mm-40 -86.89 157.45 54.55 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 2.83 110.254 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 362' ' ' PRO . . . . . 0.463 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.5 Cg_endo -74.99 66.5 6.01 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.436 1.756 . . . . 2.24 110.965 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 363' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 0.7 OUTLIER 79.9 104.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 4.56 109.28 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 364' ' ' TYR . . . . . 0.546 ' CD2' ' HD2' ' A' ' 366' ' ' LYS . 0.4 OUTLIER -127.0 65.58 64.44 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 3.22 111.001 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 365' ' ' PRO . . . . . 0.44 ' HD3' ' C ' ' A' ' 363' ' ' ASN . 18.3 Cg_endo -75.0 55.62 4.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.504 1.792 . . . . 1.26 110.999 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 366' ' ' LYS . . . . . 0.546 ' HD2' ' CD2' ' A' ' 364' ' ' TYR . 0.0 OUTLIER -76.95 171.98 13.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 2.07 109.269 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 42.5 m -136.44 131.13 33.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 2.05 110.034 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 29.6 pt -52.18 -37.54 22.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 1.76 109.358 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -55.96 -18.07 8.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 2.66 109.636 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 21.9 m -67.5 -14.59 63.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 2.52 110.026 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 371' ' ' PHE . . . . . 0.557 ' CG ' ' O ' ' A' ' 371' ' ' PHE . 6.1 p90 -167.4 56.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 6.27 110.966 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 372' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -163.5 -49.94 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.469 1.105 . . . . 2.88 110.983 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 373' ' ' PHE . . . . . 0.436 ' N ' ' HD3' ' A' ' 374' ' ' PRO . 32.7 t80 35.85 62.3 2.67 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.568 0.805 . . . . 6.76 111.012 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 374' ' ' PRO . . . . . 0.436 ' HD3' ' N ' ' A' ' 373' ' ' PHE . 18.2 Cg_endo -74.97 -164.89 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.576 1.83 . . . . 2.23 111.006 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -74.6 -50.8 16.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 6.28 109.4 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -172.24 78.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 4.76 110.959 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 377' ' ' VAL . . . . . . . . . . . . . 83.2 t -104.57 158.71 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 2.64 109.32 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -172.79 -41.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.077 . . . . 2.95 109.26 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -127.52 122.89 34.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 1.62 109.335 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 380' ' ' ILE . . . . . 0.575 HG22 ' H ' ' A' ' 381' ' ' ASP . 5.3 mm -92.01 172.23 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 2.19 109.288 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 381' ' ' ASP . . . . . 0.575 ' H ' HG22 ' A' ' 380' ' ' ILE . 25.4 m-20 -113.81 -47.31 2.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 2.33 109.288 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 382' ' ' ALA . . . . . 0.54 ' CB ' HG12 ' A' ' 432' ' ' VAL . . . -159.85 170.47 21.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 1.09 109.296 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 383' ' ' ALA . . . . . 1.009 ' HB2' ' HB1' ' A' ' 334' ' ' ALA . . . -149.57 117.72 6.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 1.19 109.273 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 384' ' ' VAL . . . . . 0.4 HG13 ' CD1' ' A' ' 434' ' ' TYR . 4.3 t -128.7 139.86 50.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 2.16 109.297 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 385' ' ' PHE . . . . . 0.494 ' HD1' ' HH ' ' A' ' 434' ' ' TYR . 13.9 t80 -103.22 139.58 38.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 1.96 110.98 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -113.34 117.25 45.58 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.077 . . . . 2.71 109.296 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -15.02 20.95 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.499 1.789 . . . . 1.75 110.999 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.7 -48.14 17.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 2.26 110.283 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -91.77 -5.87 52.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 2.61 110.999 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 57.0 29.74 16.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 2.55 110.979 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 2.0 mtm-85 -129.92 178.75 6.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 3.76 110.309 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 37.5 m -126.69 128.64 47.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.72 110.379 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 393' ' ' TYR . . . . . 0.486 ' CE2' ' OH ' ' A' ' 400' ' ' TYR . 8.7 m-85 -85.28 125.32 32.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 1.68 110.985 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -107.47 107.48 18.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 2.31 111.047 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -85.39 108.36 17.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 1.83 111.005 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 396' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 396' ' ' VAL . 21.7 m -129.38 120.2 50.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 3.08 109.329 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 52.9 -149.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 3.27 109.305 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 398' ' ' ASN . . . . . 0.45 ' O ' ' CD1' ' A' ' 417' ' ' LEU . 2.3 m120 -89.87 49.65 1.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.179 . . . . 4.73 109.256 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 399' ' ' GLN . . . . . 0.465 ' O ' HD11 ' A' ' 418' ' ' ILE . 16.0 mm100 -146.98 165.82 28.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 4.45 110.273 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 400' ' ' TYR . . . . . 0.486 ' OH ' ' CE2' ' A' ' 393' ' ' TYR . 1.6 t80 -121.46 125.56 47.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 2.74 110.997 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -119.57 160.76 21.83 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.981 -1.118 . . . . 5.61 107.981 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -153.77 117.78 4.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 3.33 110.282 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -109.54 126.58 53.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 5.05 111.103 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.28 121.98 16.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 1.89 109.284 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -91.84 -42.49 10.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 3.05 110.343 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.29 -53.6 34.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 5.51 110.281 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.38 -39.75 62.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 2.66 110.258 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 74.14 54.28 0.1 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 2.94 110.294 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -150.36 96.92 2.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.539 1.15 . . . . 2.6 110.995 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.69 125.87 18.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 3.57 110.991 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.54 143.99 45.58 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 2.56 109.253 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 412' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 413' ' ' GLY . 18.5 Cg_endo -74.98 105.16 2.03 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.774 . . . . 2.28 111.04 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 413' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 412' ' ' PRO . . . 51.03 103.25 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 1.87 110.995 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 414' ' ' TYR . . . . . 0.531 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 1.9 t80 -137.51 62.9 38.75 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.764 . . . . 1.83 111.03 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 415' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.2 Cg_endo -75.01 72.22 4.74 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.45 1.763 . . . . 1.74 111.011 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 416' ' ' LYS . . . . . 0.531 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 6.5 mmtt -85.13 -175.04 5.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 2.57 109.253 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 417' ' ' LEU . . . . . 0.45 ' CD1' ' O ' ' A' ' 398' ' ' ASN . 22.4 tp -132.67 137.58 47.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 2.96 109.289 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 418' ' ' ILE . . . . . 0.465 HD11 ' O ' ' A' ' 399' ' ' GLN . 0.6 OUTLIER -70.27 -38.53 74.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 1.33 109.357 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.55 -40.6 95.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 2.25 110.363 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 420' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 421' ' ' ASN . 60.4 mttt -63.44 -75.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 1.57 109.309 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 421' ' ' ASN . . . . . 0.652 ' ND2' ' CZ ' ' A' ' 422' ' ' PHE . 32.4 t-20 -39.86 -56.98 1.67 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 2.44 109.337 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 422' ' ' PHE . . . . . 0.652 ' CZ ' ' ND2' ' A' ' 421' ' ' ASN . 11.7 m-85 -106.18 89.59 3.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 3.82 111.04 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -73.08 140.0 46.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 2.46 110.373 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 92.91 -20.06 47.88 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.543 1.152 . . . . 1.62 110.999 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 425' ' ' ILE . . . . . 0.539 HD11 ' CD1' ' A' ' 451' ' ' TYR . 5.5 mm -68.65 -81.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 3.75 109.315 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 161.25 165.11 17.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 1.09 111.016 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.11 18.96 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.567 1.825 . . . . 1.89 111.061 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.42 145.42 26.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 4.26 109.294 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 429' ' ' ILE . . . . . 0.89 HD11 ' OH ' ' A' ' 440' ' ' TYR . 0.2 OUTLIER -125.21 121.88 61.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 3.05 109.309 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -57.93 -35.84 71.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 2.35 109.359 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 431' ' ' ALA . . . . . 0.587 ' HB3' ' HE2' ' A' ' 442' ' ' PHE . . . -170.27 157.12 6.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.584 1.178 . . . . 1.23 109.283 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.54 HG12 ' CB ' ' A' ' 382' ' ' ALA . 6.5 p -161.21 152.51 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 2.19 109.291 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 433' ' ' PHE . . . . . 0.558 ' O ' ' CD1' ' A' ' 433' ' ' PHE . 0.0 OUTLIER -152.47 152.9 32.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 3.99 110.952 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 434' ' ' TYR . . . . . 0.559 ' CG ' ' O ' ' A' ' 434' ' ' TYR . 5.8 p90 -126.45 124.01 39.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 7.02 110.936 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 435' ' ' SER . . . . . 0.44 ' HB3' ' CE2' ' A' ' 433' ' ' PHE . 24.1 p -120.26 12.96 11.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 3.71 109.985 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 436' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.34 -170.84 2.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 6.85 109.329 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -63.72 -73.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 9.38 109.299 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 438' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 438' ' ' LYS . 2.7 tttt -132.89 61.1 1.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 7.45 109.343 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -130.16 136.09 48.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 3.44 111.006 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 440' ' ' TYR . . . . . 0.89 ' OH ' HD11 ' A' ' 429' ' ' ILE . 0.1 OUTLIER -127.17 131.01 50.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 11.58 110.999 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 441' ' ' TYR . . . . . 0.591 ' CD1' ' N ' ' A' ' 441' ' ' TYR . 0.0 OUTLIER -157.23 101.09 1.88 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.584 1.177 . . . . 5.96 111.029 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 442' ' ' PHE . . . . . 1.005 ' CZ ' HG21 ' A' ' 291' ' ' VAL . 4.3 t80 -155.6 175.82 13.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 10.66 110.937 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 443' ' ' PHE . . . . . 0.631 ' CE1' ' CG ' ' A' ' 448' ' ' GLN . 46.9 m-85 -78.28 151.52 32.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 5.44 110.955 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 444' ' ' GLN . . . . . 0.415 ' O ' ' CD ' ' A' ' 444' ' ' GLN . 8.2 tm0? -138.36 72.24 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 4.03 110.254 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 445' ' ' GLY . . . . . 0.401 ' O ' ' CB ' ' A' ' 446' ' ' SER . . . 97.81 -38.71 2.99 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.436 1.085 . . . . 2.17 111.004 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 446' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 445' ' ' GLY . 0.4 OUTLIER 165.75 41.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 2.09 109.969 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 447' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 443' ' ' PHE . 0.6 OUTLIER -154.71 120.09 5.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 2.25 109.282 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 448' ' ' GLN . . . . . 0.631 ' CG ' ' CE1' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -100.77 112.08 24.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 3.9 110.323 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 449' ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' A' ' 449' ' ' PHE . 1.7 p90 -139.87 163.43 32.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 4.2 110.974 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 0.431 ' O ' HG23 ' A' ' 458' ' ' ILE . 0.5 OUTLIER -111.29 147.41 35.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 4.08 110.347 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 451' ' ' TYR . . . . . 0.539 ' CD1' HD11 ' A' ' 425' ' ' ILE . 85.4 t80 -133.85 100.09 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.08 . . . . 2.91 110.994 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -89.18 111.04 21.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 3.38 109.283 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -57.87 -15.81 9.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 4.02 111.024 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 12.2 tp -45.3 -26.82 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 2.51 109.302 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 456' ' ' GLN . 2.3 pt? -174.35 33.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.383 1.052 . . . . 1.89 109.292 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 456' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 455' ' ' LEU . 15.5 pt20 35.93 63.98 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 4.3 110.335 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -122.29 136.65 54.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 3.07 110.3 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 458' ' ' ILE . . . . . 0.431 HG23 ' O ' ' A' ' 450' ' ' GLU . 14.0 mt -108.46 93.78 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 1.53 109.343 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 2.7 t -102.87 38.91 1.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 3.1 110.437 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -159.95 124.83 3.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 2.96 109.313 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 1.1 p -138.83 73.7 1.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 2.86 110.462 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 462' ' ' LEU . . . . . 0.883 HD11 ' CB ' ' A' ' 466' ' ' SER . 27.0 tp -99.23 161.38 13.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 3.66 109.316 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 463' ' ' LYS . . . . . 0.463 ' N ' ' HG ' ' A' ' 462' ' ' LEU . 4.2 mmpp? -78.0 176.87 8.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 2.91 109.26 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 464' ' ' SER . . . . . 0.613 ' HA ' ' CD1' ' A' ' 443' ' ' PHE . 7.5 t -73.2 -44.82 59.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 2.32 110.032 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 465' ' ' ASN . . . . . 0.548 ' ND2' ' O ' ' A' ' 465' ' ' ASN . 0.8 OUTLIER -121.01 79.13 1.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 2.97 109.288 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 466' ' ' SER . . . . . 0.883 ' CB ' HD11 ' A' ' 462' ' ' LEU . 0.4 OUTLIER -114.67 5.79 15.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 4.2 109.956 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -132.46 -49.97 0.92 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.055 -1.091 . . . . 6.12 108.055 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 468' ' ' PHE . . . . . 0.83 ' HB3' HD22 ' A' ' 281' ' ' LEU . 16.4 m-85 -47.4 -63.96 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 7.28 111.017 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -112.44 -64.84 0.48 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.494 1.121 . . . . 4.37 111.045 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 60.5 m . . . . . 0 C--N 1.326 -0.449 0 N-CA-C 108.257 -1.016 . . . . 3.69 108.257 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 281' ' ' LEU . . . . . 0.5 ' HB3' ' CE2' ' A' ' 468' ' ' PHE . 24.9 mt . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.261 -0.644 . . . . 3.07 109.261 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 282' ' ' CYS . . . . . 1.081 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 42.1 t -178.44 -51.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 3.24 108.286 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.21 149.89 40.76 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 3.73 109.258 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 97.72 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.469 1.773 . . . . 2.04 111.008 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -156.8 30.64 0.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 3.4 109.257 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 286' ' ' LEU . . . . . 0.956 HD11 ' CZ2' ' A' ' 307' ' ' TRP . 27.5 tp -110.92 157.85 19.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 2.58 109.256 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 79.1 p -144.87 162.83 35.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 1.37 110.04 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -129.64 171.75 12.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 2.46 111.052 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -122.2 -43.17 2.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 3.61 109.305 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 290' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 333' ' ' GLU . . . -155.15 131.16 10.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.88 109.319 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 291' ' ' VAL . . . . . 0.901 HG21 ' CE2' ' A' ' 300' ' ' PHE . 6.8 p -135.95 145.43 31.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 2.74 109.288 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 9.3 t -153.52 154.15 33.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 1.58 110.371 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 293' ' ' THR . . . . . 0.585 HG21 ' CB ' ' A' ' 435' ' ' SER . 11.1 t -106.5 146.41 30.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 2.57 110.358 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 294' ' ' VAL . . . . . 0.496 ' O ' HG23 ' A' ' 294' ' ' VAL . 31.5 m -132.42 76.48 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 2.78 109.316 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 95.52 -90.75 1.27 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.541 1.15 . . . . 1.62 111.031 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 296' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 296' ' ' ASN . 2.0 p-10 -134.23 16.42 3.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.78 . . . . 4.17 109.236 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.575 ' HA ' HG11 ' A' ' 310' ' ' VAL . 0.2 OUTLIER -124.08 152.52 42.61 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.499 1.125 . . . . 2.39 109.323 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 298' ' ' ILE . . . . . 0.409 HG21 ' CE1' ' A' ' 300' ' ' PHE . 9.8 mt -115.45 140.48 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 2.35 109.292 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -129.54 93.21 3.49 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.535 1.147 . . . . 2.82 110.976 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 300' ' ' PHE . . . . . 0.901 ' CE2' HG21 ' A' ' 291' ' ' VAL . 78.1 m-85 -82.58 120.41 25.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 3.26 111.004 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -104.81 155.97 18.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 2.67 110.999 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -160.24 -50.3 0.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 4.28 109.282 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 303' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 305' ' ' PHE . 1.5 t0 172.42 100.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 4.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 304' ' ' ARG . . . . . 0.465 ' HB2' ' O ' ' A' ' 303' ' ' ASP . 0.0 OUTLIER 67.37 -58.61 0.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 5.35 110.306 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 305' ' ' PHE . . . . . 0.48 ' N ' ' O ' ' A' ' 303' ' ' ASP . 19.3 m-85 -88.29 126.08 35.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 2.85 111.051 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 306' ' ' PHE . . . . . 0.43 ' CB ' ' O ' ' A' ' 300' ' ' PHE . 6.2 p90 -124.9 136.18 53.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 2.08 111.005 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 307' ' ' TRP . . . . . 0.956 ' CZ2' HD11 ' A' ' 286' ' ' LEU . 31.7 m-90 -79.89 136.84 36.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 5.12 107.991 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 308' ' ' LEU . . . . . 0.557 HD21 ' CZ ' ' A' ' 313' ' ' ARG . 4.4 tp -149.47 101.59 3.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 2.28 109.321 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 309' ' ' LYS . . . . . 0.738 ' HB2' HG22 ' A' ' 316' ' ' THR . 1.0 OUTLIER -122.62 82.9 2.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 2.65 109.286 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 310' ' ' VAL . . . . . 0.694 HG13 ' N ' ' A' ' 311' ' ' SER . 0.6 OUTLIER -151.59 -161.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 2.66 109.272 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 311' ' ' SER . . . . . 0.694 ' N ' HG13 ' A' ' 310' ' ' VAL . 0.7 OUTLIER 38.3 -148.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 5.27 109.994 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -82.6 67.3 8.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 7.52 110.291 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 313' ' ' ARG . . . . . 0.557 ' CZ ' HD21 ' A' ' 308' ' ' LEU . 6.9 mtt180 -137.77 116.3 9.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 4.85 110.294 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -25.47 11.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.504 1.791 . . . . 2.34 110.995 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.22 170.86 11.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 6.73 109.315 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 316' ' ' THR . . . . . 0.738 HG22 ' HB2' ' A' ' 309' ' ' LYS . 63.8 p -75.29 146.43 41.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 1.42 110.422 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 317' ' ' SER . . . . . 0.505 ' CB ' HD23 ' A' ' 308' ' ' LEU . 0.1 OUTLIER -80.55 151.0 29.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 2.92 110.003 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 40.7 t -144.13 79.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.556 1.16 . . . . 2.07 109.296 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -124.2 169.9 11.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 2.07 109.307 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.89 154.05 18.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 1.62 109.317 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 321' ' ' ILE . . . . . 0.411 HG23 ' HB2' ' A' ' 325' ' ' TRP . 1.4 mp -66.91 -64.61 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 1.42 109.314 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 19.3 m -46.2 -34.49 4.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 1.76 110.006 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 323' ' ' SER . . . . . 0.728 ' HB3' HD12 ' A' ' 324' ' ' LEU . 0.3 OUTLIER -43.02 -50.37 5.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 1.31 110.023 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 324' ' ' LEU . . . . . 0.728 HD12 ' HB3' ' A' ' 323' ' ' SER . 3.9 mp -108.98 -65.91 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 2.29 109.382 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 325' ' ' TRP . . . . . 0.457 ' HB3' ' CB ' ' A' ' 328' ' ' LEU . 0.0 OUTLIER -42.2 148.86 0.47 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 2.57 107.985 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -82.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.428 1.752 . . . . 1.2 110.982 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 327' ' ' THR . . . . . . . . . . . . . 9.2 t -110.48 5.62 21.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 1.99 110.404 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 328' ' ' LEU . . . . . 0.902 HD21 HD11 ' A' ' 355' ' ' ILE . 0.5 OUTLIER -44.01 130.85 4.3 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 1.93 109.304 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 329' ' ' PRO . . . . . 0.794 ' HD2' HD13 ' A' ' 328' ' ' LEU . 18.0 Cg_endo -75.13 148.23 34.52 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.407 1.74 . . . . 2.62 110.932 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 4.5 m -104.73 155.02 19.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 2.61 110.014 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 86.07 32.51 17.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 1.27 110.985 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.718 HD12 ' HB3' ' A' ' 346' ' ' LEU . 51.7 mm -47.41 130.01 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 0.745 . . . . 2.37 109.332 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 333' ' ' GLU . . . . . 0.684 ' O ' ' HB2' ' A' ' 290' ' ' ALA . 47.2 mm-40 -85.99 -49.45 7.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.415 1.072 . . . . 2.5 110.334 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -138.61 110.37 7.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.414 1.071 . . . . 1.13 109.357 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 335' ' ' ALA . . . . . 0.511 ' HB2' HG21 ' A' ' 332' ' ' ILE . . . -102.17 126.27 49.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.83 109.271 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 336' ' ' TYR . . . . . 0.552 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 15.1 p90 -152.94 122.42 6.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 3.48 110.936 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 337' ' ' GLU . . . . . 0.42 ' CD ' ' N ' ' A' ' 338' ' ' ILE . 0.2 OUTLIER -95.62 -179.74 4.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 4.24 110.289 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 338' ' ' ILE . . . . . 0.528 ' O ' HG23 ' A' ' 338' ' ' ILE . 19.0 tt -137.53 101.23 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 3.46 109.243 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -68.17 78.83 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.406 1.066 . . . . 3.12 110.34 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -159.99 -53.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 1.86 109.32 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -112.41 4.29 17.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 3.54 110.325 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.17 70.84 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 2.75 109.3 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -134.67 179.28 6.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 2.55 110.302 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 344' ' ' VAL . . . . . 0.466 ' CG1' HD21 ' A' ' 346' ' ' LEU . 85.6 t -147.89 125.69 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.088 . . . . 1.33 109.36 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 345' ' ' PHE . . . . . 0.464 ' CB ' ' CZ ' ' A' ' 336' ' ' TYR . 61.1 m-85 -113.48 86.7 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 3.16 110.999 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.718 ' HB3' HD12 ' A' ' 332' ' ' ILE . 13.9 mt -81.59 148.99 28.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 2.29 109.308 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -118.85 144.54 46.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 2.69 110.971 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 348' ' ' LYS . . . . . 0.474 ' HD3' ' CB ' ' A' ' 329' ' ' PRO . 1.5 ptmt -161.45 124.04 3.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 4.96 109.308 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 53.76 -150.41 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 3.75 109.297 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 350' ' ' ASP . . . . . 0.477 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 5.5 p-10 -87.95 41.47 1.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 3.36 109.225 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.477 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 24.5 mttp -155.77 154.93 32.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 2.48 109.333 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 352' ' ' TYR . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 366' ' ' LYS . 19.7 p90 -137.42 135.63 37.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 2.8 111.011 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 353' ' ' TRP . . . . . 0.415 ' CD2' ' HG3' ' A' ' 329' ' ' PRO . 1.2 m-90 -93.64 138.65 31.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 3.87 108.02 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 354' ' ' LEU . . . . . 0.66 ' O ' HD23 ' A' ' 354' ' ' LEU . 0.0 OUTLIER -109.15 105.26 14.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 3.05 109.299 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.902 HD11 HD21 ' A' ' 328' ' ' LEU . 83.0 mt -83.22 145.93 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 2.06 109.296 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 29.3 t -137.68 103.74 5.11 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.513 1.133 . . . . 1.52 109.972 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 357' ' ' ASN . . . . . 0.7 ' O ' HD23 ' A' ' 358' ' ' LEU . 22.5 m-80 61.39 55.42 2.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 3.14 109.29 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 358' ' ' LEU . . . . . 0.7 HD23 ' O ' ' A' ' 357' ' ' ASN . 0.3 OUTLIER 57.94 35.04 24.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 2.8 109.287 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.31 106.1 7.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.599 1.187 . . . . 3.85 110.302 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 360' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 361' ' ' GLU . 18.3 Cg_endo -75.0 109.36 2.91 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.545 1.813 . . . . 1.97 110.975 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 361' ' ' GLU . . . . . 0.53 ' CG ' HD23 ' A' ' 354' ' ' LEU . 35.8 mm-40 -34.24 123.64 0.51 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 2.91 110.281 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 124.19 8.49 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.466 1.772 . . . . 2.36 111.03 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 363' ' ' ASN . . . . . 0.448 ' C ' ' HD3' ' A' ' 365' ' ' PRO . 18.8 m120 65.44 62.54 0.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 4.53 109.255 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 364' ' ' TYR . . . . . 0.58 ' CE2' ' HD3' ' A' ' 366' ' ' LYS . 0.3 OUTLIER -132.64 56.83 24.61 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 2.97 110.993 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 365' ' ' PRO . . . . . 0.535 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.5 Cg_endo -74.95 51.39 2.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 1.49 111.004 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 366' ' ' LYS . . . . . 0.58 ' HD3' ' CE2' ' A' ' 364' ' ' TYR . 0.1 OUTLIER -57.45 142.87 42.53 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.524 1.14 . . . . 1.71 109.312 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 90.2 p -118.12 129.49 55.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 1.96 109.968 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 5.7 pt -45.64 -28.05 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 1.57 109.263 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 369' ' ' HIS . . . . . 0.839 ' CE1' ' CD1' ' A' ' 373' ' ' PHE . 8.4 m80 -55.6 -18.86 8.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 5.29 109.65 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 1.6 m -60.97 -25.51 66.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 2.49 110.015 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 174.29 61.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 6.5 111.09 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 372' ' ' GLY . . . . . 0.463 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -168.31 -63.89 0.03 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.522 1.139 . . . . 2.82 110.987 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 373' ' ' PHE . . . . . 0.839 ' CD1' ' CE1' ' A' ' 369' ' ' HIS . 46.0 t80 -32.59 95.43 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.59 0.818 . . . . 5.22 110.979 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 374' ' ' PRO . . . . . 0.619 ' HD2' HG12 ' A' ' 377' ' ' VAL . 18.4 Cg_endo -75.02 -54.97 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 2.47 111.025 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 375' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 374' ' ' PRO . 7.2 m-20 160.74 45.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 5.44 109.276 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 376' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 377' ' ' VAL . 0.6 OUTLIER -178.99 -48.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 5.74 111.003 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 377' ' ' VAL . . . . . 0.619 HG12 ' HD2' ' A' ' 374' ' ' PRO . 3.3 p -40.07 153.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 2.17 109.267 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.54 -38.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 3.27 109.325 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.32 126.98 25.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 1.89 109.363 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 13.9 mt -98.78 150.64 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.88 109.317 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.55 -44.95 7.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 2.33 109.332 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 382' ' ' ALA . . . . . 0.818 ' HB2' ' HA ' ' A' ' 431' ' ' ALA . . . -161.15 161.98 31.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.75 109.323 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -151.46 127.1 10.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.64 109.232 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 384' ' ' VAL . . . . . 0.703 HG13 HG13 ' A' ' 432' ' ' VAL . 22.0 m -136.51 139.18 45.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 2.36 109.315 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -90.85 132.39 35.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 4.37 110.946 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -109.19 108.65 60.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 2.61 109.283 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.7 18.47 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.5 1.79 . . . . 1.97 111.02 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -76.44 -27.67 56.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 2.23 110.351 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -116.31 0.69 12.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 2.52 110.972 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 51.83 21.98 1.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 2.88 110.958 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.03 155.83 39.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 3.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 91.6 m -111.89 125.55 54.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.76 110.408 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 393' ' ' TYR . . . . . 0.428 ' N ' ' CD1' ' A' ' 393' ' ' TYR . 9.1 m-30 -78.83 126.98 31.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 1.63 111.018 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -111.53 107.17 16.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 2.24 110.973 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -89.03 115.49 26.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.39 1.056 . . . . 0.97 110.964 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 396' ' ' VAL . . . . . 0.462 HG21 HG23 ' A' ' 377' ' ' VAL . 42.1 t -140.19 126.35 21.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 1.79 109.338 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 1.2 t70 52.3 -152.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 3.47 109.323 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -88.08 49.66 1.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 3.53 109.291 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.39 162.94 37.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 2.74 110.365 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -129.43 105.59 8.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 2.37 110.991 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 7.4 m-90 -100.49 172.78 6.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 5.45 107.965 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 402' ' ' ARG . . . . . 0.412 ' NE ' ' CE1' ' A' ' 393' ' ' TYR . 7.7 ttm180 -154.92 126.38 7.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 3.69 110.278 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 403' ' ' TYR . . . . . 0.572 ' CE1' ' O ' ' A' ' 404' ' ' ASP . 62.2 t80 -108.98 151.43 26.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 4.98 110.983 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 404' ' ' ASP . . . . . 0.572 ' O ' ' CE1' ' A' ' 403' ' ' TYR . 0.3 OUTLIER -92.58 127.92 38.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 2.04 109.245 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -88.66 -52.86 4.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 3.27 110.295 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -60.83 -50.01 75.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.593 1.183 . . . . 8.11 110.224 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.29 -40.32 67.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 2.84 110.352 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 74.02 30.62 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 2.87 110.328 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 9.5 tpt -134.77 116.43 14.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 2.61 110.911 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 44.3 mtm -39.31 142.03 0.3 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 2.41 110.965 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.72 141.26 97.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 3.19 109.324 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 412' ' ' PRO . . . . . 0.532 ' O ' ' C ' ' A' ' 413' ' ' GLY . 18.2 Cg_endo -75.03 126.27 9.84 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.794 . . . . 3.78 110.996 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 413' ' ' GLY . . . . . 0.532 ' C ' ' O ' ' A' ' 412' ' ' PRO . . . 25.87 91.37 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.505 1.128 . . . . 3.04 110.949 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 414' ' ' TYR . . . . . 0.507 ' CE1' ' HG3' ' A' ' 416' ' ' LYS . 1.0 OUTLIER -134.22 60.12 42.01 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 2.14 111.016 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 415' ' ' PRO . . . . . 0.482 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -75.01 73.24 4.39 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.435 1.756 . . . . 1.98 111.029 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 416' ' ' LYS . . . . . 0.507 ' HG3' ' CE1' ' A' ' 414' ' ' TYR . 6.0 mmtt -98.11 173.63 6.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 2.45 109.327 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.92 163.07 27.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 2.08 109.301 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 418' ' ' ILE . . . . . 0.528 HG22 HD11 ' A' ' 425' ' ' ILE . 2.8 mp -69.04 -77.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 1.05 109.315 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 419' ' ' THR . . . . . 0.428 ' HB ' ' N ' ' A' ' 427' ' ' PRO . 7.5 t -40.03 -37.9 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 1.08 110.388 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -62.78 -50.12 72.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 1.66 109.292 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 421' ' ' ASN . . . . . 0.455 ' OD1' ' CE2' ' A' ' 422' ' ' PHE . 10.3 t-20 -58.39 -46.52 86.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.095 . . . . 2.36 109.308 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 422' ' ' PHE . . . . . 0.49 ' O ' ' CD1' ' A' ' 425' ' ' ILE . 39.0 m-85 -148.06 126.02 12.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.384 1.053 . . . . 3.38 110.982 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -92.23 119.58 31.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 2.35 110.275 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 424' ' ' GLY . . . . . 0.658 ' HA3' HD11 ' A' ' 458' ' ' ILE . . . 150.2 -28.31 1.11 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.141 . . . . 1.52 111.001 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 425' ' ' ILE . . . . . 0.816 HG21 ' CD2' ' A' ' 442' ' ' PHE . 0.2 OUTLIER -96.15 -19.63 6.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 2.13 109.254 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 91.4 170.59 42.4 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.5 1.125 . . . . 0.8 111.049 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 427' ' ' PRO . . . . . 0.428 ' N ' ' HB ' ' A' ' 419' ' ' THR . 18.4 Cg_endo -74.94 -0.59 10.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 1.09 111.084 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.82 133.2 45.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 2.93 109.253 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 429' ' ' ILE . . . . . 0.664 HD11 ' CD1' ' A' ' 442' ' ' PHE . 6.7 tp -128.24 144.26 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 1.44 109.263 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 430' ' ' ASP . . . . . 0.412 ' N ' ' OD1' ' A' ' 430' ' ' ASP . 0.8 OUTLIER -93.55 -60.33 1.8 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.489 1.118 . . . . 3.16 109.279 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 431' ' ' ALA . . . . . 0.818 ' HA ' ' HB2' ' A' ' 382' ' ' ALA . . . -154.73 166.05 34.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.461 1.101 . . . . 0.76 109.296 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 441' ' ' TYR . 6.6 p -158.12 143.64 8.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 2.14 109.296 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 433' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 433' ' ' PHE . 5.6 p90 -142.46 123.0 14.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.095 . . . . 2.57 110.965 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -85.88 88.87 7.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 3.67 111.04 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 435' ' ' SER . . . . . 0.585 ' CB ' HG21 ' A' ' 293' ' ' THR . 1.3 p -113.98 -14.83 12.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 2.31 109.918 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 436' ' ' LYS . . . . . 0.483 ' HD3' ' CE1' ' A' ' 441' ' ' TYR . 0.2 OUTLIER -73.27 -167.12 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 4.03 109.314 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -97.97 -50.68 4.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 4.23 109.296 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 438' ' ' LYS . . . . . 0.502 ' CE ' ' HA ' ' A' ' 438' ' ' LYS . 0.0 OUTLIER -145.78 50.2 1.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 3.3 109.356 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -143.33 162.49 35.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 2.65 111.016 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -125.27 109.96 13.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 3.54 110.977 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 441' ' ' TYR . . . . . 0.844 ' O ' HG23 ' A' ' 432' ' ' VAL . 3.2 m-85 -89.52 125.1 35.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.423 1.077 . . . . 2.51 110.988 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 442' ' ' PHE . . . . . 0.816 ' CD2' HG21 ' A' ' 425' ' ' ILE . 12.0 m-85 -125.23 146.98 49.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 3.37 111.054 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 443' ' ' PHE . . . . . 0.562 ' CZ ' ' HG3' ' A' ' 448' ' ' GLN . 0.2 OUTLIER -123.68 118.73 27.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 3.99 111.025 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 444' ' ' GLN . . . . . 0.531 ' OE1' HD12 ' A' ' 429' ' ' ILE . 1.1 pm0 -145.96 91.03 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 6.23 110.267 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 445' ' ' GLY . . . . . 0.458 ' O ' ' ND2' ' A' ' 447' ' ' ASN . . . 81.29 67.3 1.54 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.47 1.106 . . . . 3.9 110.976 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 96.8 p 42.24 30.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.75 . . . . 1.75 110.009 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 447' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 445' ' ' GLY . 78.8 m-20 -123.2 119.1 29.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 2.3 109.308 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 448' ' ' GLN . . . . . 0.589 ' NE2' ' CD2' ' A' ' 441' ' ' TYR . 0.0 OUTLIER -106.44 100.28 9.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 3.51 110.259 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 449' ' ' PHE . . . . . 0.464 ' HD2' HG21 ' A' ' 458' ' ' ILE . 11.2 m-85 -107.7 146.86 31.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 2.78 110.99 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.44 143.08 48.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 4.08 110.303 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 451' ' ' TYR . . . . . 0.469 ' CE2' ' HB3' ' A' ' 422' ' ' PHE . 3.3 t80 -117.45 123.37 46.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 3.13 110.99 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -103.7 111.64 24.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.148 . . . . 3.15 109.323 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -63.51 -12.26 30.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 3.62 111.025 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 454' ' ' LEU . . . . . 0.637 HD23 ' CD2' ' A' ' 455' ' ' LEU . 11.2 tp -54.96 -32.68 61.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 2.25 109.27 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.637 ' CD2' HD23 ' A' ' 454' ' ' LEU . 0.7 OUTLIER -173.55 37.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 2.14 109.209 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 456' ' ' GLN . . . . . 0.457 ' HA ' ' CE1' ' A' ' 451' ' ' TYR . 5.0 pm0 36.66 64.69 0.54 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 4.84 110.283 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -127.02 125.58 41.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 3.26 110.269 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 458' ' ' ILE . . . . . 0.658 HD11 ' HA3' ' A' ' 424' ' ' GLY . 54.0 mt -90.69 106.4 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 1.67 109.337 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 58.3 p -113.01 36.87 3.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.406 1.066 . . . . 2.55 110.467 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -156.66 116.63 3.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 3.7 109.288 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 23.2 p -149.48 87.11 1.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 2.23 110.389 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 462' ' ' LEU . . . . . 0.622 HD12 ' CB ' ' A' ' 466' ' ' SER . 1.1 pt? -121.78 177.34 5.31 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.538 1.149 . . . . 1.99 109.296 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 463' ' ' LYS . . . . . 0.449 ' O ' ' CB ' ' A' ' 466' ' ' SER . 0.0 OUTLIER -111.6 155.71 22.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 2.82 109.299 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.04 -52.68 2.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 2.13 110.012 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -76.95 55.94 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.594 1.184 . . . . 3.52 109.257 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 466' ' ' SER . . . . . 0.622 ' CB ' HD12 ' A' ' 462' ' ' LEU . 49.6 m -133.5 52.65 2.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 3.27 110.049 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 467' ' ' TRP . . . . . 0.449 ' CD1' ' O ' ' A' ' 466' ' ' SER . 0.1 OUTLIER -175.08 -42.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 5.65 108.043 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 468' ' ' PHE . . . . . 0.5 ' CE2' ' HB3' ' A' ' 281' ' ' LEU . 2.2 t80 -67.13 -39.85 86.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.531 1.145 . . . . 7.24 111.025 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 93.9 80.33 1.48 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.513 1.133 . . . . 2.39 110.988 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 470' ' ' CYS . . . . . 1.081 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 1.5 t . . . . . 0 C--N 1.325 -0.497 0 N-CA-C 108.326 -0.99 . . . . 6.97 108.326 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 281' ' ' LEU . . . . . 1.116 HD11 ' CZ3' ' A' ' 307' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.294 -0.632 . . . . 3.5 109.294 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 282' ' ' CYS . . . . . . . . . . . . . 10.2 t -115.38 32.7 5.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 2.91 108.221 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 283' ' ' ASP . . . . . 0.412 ' HB3' ' OD1' ' A' ' 285' ' ' ASN . 3.9 m-20 -165.84 145.33 5.25 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 3.34 109.271 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 81.62 2.17 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 1.98 111.009 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 285' ' ' ASN . . . . . 0.412 ' OD1' ' HB3' ' A' ' 283' ' ' ASP . 0.2 OUTLIER -173.67 41.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 2.79 109.343 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 286' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 281' ' ' LEU . 0.4 OUTLIER -118.92 154.59 32.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.446 1.092 . . . . 2.7 109.307 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 287' ' ' SER . . . . . 0.45 ' H ' HD23 ' A' ' 286' ' ' LEU . 59.0 p -145.71 167.57 22.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 1.43 110.036 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -130.04 173.05 11.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 3.07 111.031 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.34 -49.83 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 2.92 109.278 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 290' ' ' ALA . . . . . 0.539 ' HA ' ' HB2' ' A' ' 431' ' ' ALA . . . -138.1 152.6 48.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.89 109.342 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 291' ' ' VAL . . . . . 0.485 HG23 ' HB3' ' A' ' 431' ' ' ALA . 55.8 t -141.05 159.78 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 2.2 109.326 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 292' ' ' THR . . . . . 0.425 ' CG2' ' N ' ' A' ' 293' ' ' THR . 0.8 OUTLIER -152.89 164.45 37.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 1.75 110.397 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 293' ' ' THR . . . . . 0.425 ' N ' ' CG2' ' A' ' 292' ' ' THR . 11.6 t -137.84 144.44 41.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 2.21 110.415 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 294' ' ' VAL . . . . . 0.701 HG22 ' CD ' ' A' ' 337' ' ' GLU . 70.0 t -144.7 67.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 2.16 109.273 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 93.94 -108.96 3.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.132 . . . . 2.83 111.004 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -109.83 12.91 23.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 0.756 . . . . 3.05 109.279 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.872 ' HA ' HG21 ' A' ' 310' ' ' VAL . 7.1 mtmm -107.88 152.35 24.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 2.8 109.348 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 2.5 pt -133.22 132.44 58.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 2.21 109.278 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 299' ' ' PHE . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 301' ' ' PHE . 52.9 m-85 -114.18 150.96 33.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 2.71 111.001 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 300' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -142.54 132.79 24.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 2.55 110.969 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 301' ' ' PHE . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 299' ' ' PHE . 0.1 OUTLIER -134.48 171.63 14.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 2.84 110.949 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 302' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 303' ' ' ASP . 3.9 tptp -145.59 -113.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 4.77 109.286 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 303' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 302' ' ' LYS . 71.2 m-20 -77.62 -79.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 2.93 109.258 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.64 -24.59 6.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.078 . . . . 3.94 110.286 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 305' ' ' PHE . . . . . 0.569 ' CE1' HD12 ' A' ' 320' ' ' LEU . 74.3 m-85 -94.71 147.9 22.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 2.77 111.05 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 306' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' A' ' 318' ' ' VAL . 6.1 p90 -128.3 143.84 51.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 1.61 111.027 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 307' ' ' TRP . . . . . 1.116 ' CZ3' HD11 ' A' ' 281' ' ' LEU . 52.1 m95 -106.66 149.07 27.61 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.013 -1.106 . . . . 4.77 108.013 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 46.2 tp -143.62 130.81 20.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.172 . . . . 2.66 109.298 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 309' ' ' LYS . . . . . 0.52 ' HD3' HG22 ' A' ' 316' ' ' THR . 22.4 tptp -152.3 102.36 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 2.03 109.234 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 310' ' ' VAL . . . . . 0.872 HG21 ' HA ' ' A' ' 297' ' ' LYS . 3.8 p -176.81 -178.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.484 1.115 . . . . 2.25 109.353 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 311' ' ' SER . . . . . 0.712 ' H ' HG22 ' A' ' 310' ' ' VAL . 14.3 t 45.81 87.56 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.528 1.142 . . . . 4.32 109.96 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 312' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 311' ' ' SER . 4.6 tt0 32.33 77.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.562 1.163 . . . . 4.84 110.318 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -116.75 128.63 25.88 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 4.36 110.286 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -34.4 3.84 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.559 1.82 . . . . 1.88 110.995 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.1 172.49 18.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 4.43 109.301 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 316' ' ' THR . . . . . 0.86 ' OG1' HD13 ' A' ' 281' ' ' LEU . 70.0 p -81.24 172.24 13.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.129 . . . . 1.17 110.42 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.36 137.08 15.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 2.18 109.999 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 318' ' ' VAL . . . . . 0.58 ' HB ' ' CE3' ' A' ' 307' ' ' TRP . 7.2 p -121.02 120.03 61.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 3.55 109.276 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -133.05 179.2 6.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 3.53 109.299 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.569 HD12 ' CE1' ' A' ' 305' ' ' PHE . 0.3 OUTLIER -86.87 149.14 25.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 1.86 109.311 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 321' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 324' ' ' LEU . 11.0 mt -64.44 -63.17 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 1.47 109.318 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 14.4 m -45.26 -37.71 4.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 1.71 109.974 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.03 -37.98 69.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.67 109.989 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 324' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 321' ' ' ILE . 7.8 tp -93.1 -74.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 3.94 109.268 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.63 159.62 83.0 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 1.66 107.978 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -79.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.406 1.74 . . . . 1.27 111.01 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 327' ' ' THR . . . . . 0.693 ' O ' HD22 ' A' ' 328' ' ' LEU . 0.1 OUTLIER -123.33 94.21 4.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 1.79 110.475 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 328' ' ' LEU . . . . . 0.693 HD22 ' O ' ' A' ' 327' ' ' THR . 1.5 mm? -126.58 154.19 75.39 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 1.18 109.311 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 329' ' ' PRO . . . . . 0.426 ' HD2' HD13 ' A' ' 328' ' ' LEU . 18.5 Cg_endo -74.9 130.04 13.0 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.521 1.8 . . . . 1.95 110.994 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 1.3 m -85.27 138.85 32.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 2.42 110.021 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 93.27 41.93 4.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.145 . . . . 1.38 111.012 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 21.4 mt -49.2 129.69 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 1.83 109.321 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.27 -29.55 11.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 3.1 110.292 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -158.72 125.72 4.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.86 109.29 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -121.89 126.92 49.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.82 109.279 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 336' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -131.05 101.79 5.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 3.98 110.984 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 337' ' ' GLU . . . . . 0.701 ' CD ' HG22 ' A' ' 294' ' ' VAL . 0.1 OUTLIER -105.05 135.34 46.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 3.87 110.322 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 338' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 338' ' ' ILE . 6.8 tp -118.24 132.02 69.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 4.13 109.35 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -96.78 17.52 16.44 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.566 1.166 . . . . 3.56 110.322 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -77.98 -52.78 8.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.591 1.182 . . . . 1.65 109.275 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 341' ' ' ARG . . . . . 0.431 ' CG ' ' HG2' ' A' ' 343' ' ' GLN . 0.6 OUTLIER -105.88 0.38 25.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 3.59 110.291 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 35.2 t30 68.25 51.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 2.01 109.28 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 343' ' ' GLN . . . . . 0.431 ' HG2' ' CG ' ' A' ' 341' ' ' ARG . 1.3 pt20 -119.67 168.21 11.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.123 . . . . 4.23 110.271 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 344' ' ' VAL . . . . . . . . . . . . . 15.7 t -138.96 130.68 36.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.516 1.135 . . . . 1.62 109.331 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 345' ' ' PHE . . . . . 0.415 ' CZ ' ' HB2' ' A' ' 347' ' ' PHE . 23.5 t80 -123.77 130.21 52.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 5.94 111.014 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' A' ' 346' ' ' LEU . 3.2 mm? -125.39 110.18 13.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 1.4 109.299 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 347' ' ' PHE . . . . . 0.415 ' HB2' ' CZ ' ' A' ' 345' ' ' PHE . 3.3 t80 -90.51 145.11 25.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 6.11 111.047 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 348' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.6 OUTLIER -161.05 114.9 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 4.4 109.29 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 61.13 -144.77 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 3.75 109.279 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 350' ' ' ASP . . . . . 0.479 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 19.1 p-10 -89.2 36.45 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 2.98 109.258 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 4.7 mtmt -156.09 154.02 30.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 1.66 109.262 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 352' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 366' ' ' LYS . 5.5 p90 -145.55 133.8 21.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 2.56 111.026 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 -91.66 164.15 13.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 3.7 108.072 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 354' ' ' LEU . . . . . 0.751 HD13 ' C ' ' A' ' 354' ' ' LEU . 1.7 tm? -127.4 111.39 13.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 2.86 109.266 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.564 HD11 HD11 ' A' ' 328' ' ' LEU . 1.9 mp -91.3 110.83 22.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.165 . . . . 1.38 109.279 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 356' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' A' ' 357' ' ' ASN . 52.3 p -99.17 104.16 16.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 2.98 109.969 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 357' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 356' ' ' SER . 12.1 m-20 78.11 -56.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 3.13 109.252 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 358' ' ' LEU . . . . . 0.773 HD23 ' HG2' ' A' ' 359' ' ' ARG . 0.1 OUTLIER -162.77 -49.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 4.91 109.26 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 359' ' ' ARG . . . . . 0.773 ' HG2' HD23 ' A' ' 358' ' ' LEU . 0.0 OUTLIER -88.61 120.08 70.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 4.44 110.261 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 360' ' ' PRO . . . . . 0.448 ' HG3' HD21 ' A' ' 328' ' ' LEU . 18.4 Cg_endo -75.02 144.81 30.61 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.522 1.801 . . . . 1.4 111.042 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -49.94 128.96 21.65 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 3.12 110.27 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 139.72 24.48 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.556 1.819 . . . . 2.07 111.001 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 363' ' ' ASN . . . . . 0.426 ' C ' ' HD3' ' A' ' 365' ' ' PRO . 2.6 m-80 61.06 62.33 1.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 4.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 364' ' ' TYR . . . . . 0.589 ' CE2' ' HD3' ' A' ' 366' ' ' LYS . 0.4 OUTLIER -134.46 55.76 15.76 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 3.11 111.003 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 365' ' ' PRO . . . . . 0.551 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -75.03 46.82 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.528 1.804 . . . . 1.18 110.979 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 366' ' ' LYS . . . . . 0.589 ' HD3' ' CE2' ' A' ' 364' ' ' TYR . 0.1 OUTLIER -49.04 151.45 1.29 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 1.86 109.332 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 367' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 350' ' ' ASP . 0.7 OUTLIER -130.67 125.93 35.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 2.48 109.979 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 368' ' ' ILE . . . . . 0.442 HG23 ' CD1' ' A' ' 352' ' ' TYR . 3.7 pt -60.3 -32.36 50.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.56 1.163 . . . . 1.61 109.293 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -21.4 64.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 2.96 109.612 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.21 -8.71 41.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 2.36 110.036 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 175.48 58.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 6.36 110.997 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 372' ' ' GLY . . . . . 0.485 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -165.49 -66.19 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.429 1.08 . . . . 2.8 111.023 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 373' ' ' PHE . . . . . 0.574 ' CZ ' ' O ' ' A' ' 375' ' ' ASN . 62.0 t80 -30.96 94.49 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 4.67 111.047 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 374' ' ' PRO . . . . . 0.466 ' N ' ' O ' ' A' ' 372' ' ' GLY . 18.4 Cg_endo -74.99 -61.86 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.527 1.804 . . . . 2.8 111.038 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 375' ' ' ASN . . . . . 0.574 ' O ' ' CZ ' ' A' ' 373' ' ' PHE . 44.3 t-20 -119.74 -70.81 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 4.88 109.297 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -145.84 66.21 1.21 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 5.39 110.995 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 377' ' ' VAL . . . . . . . . . . . . . 71.1 t -112.3 155.29 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 2.59 109.297 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.9 -36.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 2.84 109.316 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -116.48 120.34 38.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 1.78 109.35 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 30.3 mt -105.43 158.35 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 1.23 109.278 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 381' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 430' ' ' ASP . 0.5 OUTLIER -96.21 -45.01 7.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 2.13 109.272 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 382' ' ' ALA . . . . . 0.589 ' HB2' ' HA ' ' A' ' 431' ' ' ALA . . . -156.75 166.9 32.06 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.547 1.154 . . . . 0.63 109.336 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -157.63 126.35 5.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.67 109.262 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 27.5 m -138.86 150.7 23.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.533 1.146 . . . . 2.44 109.308 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -100.38 155.72 17.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 1.94 111.046 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 386' ' ' ASN . . . . . 0.457 ' ND2' ' CE1' ' A' ' 393' ' ' TYR . 5.8 m-20 -135.55 113.42 11.05 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 3.07 109.276 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 387' ' ' PRO . . . . . 0.457 ' HD3' ' CE2' ' A' ' 434' ' ' TYR . 18.3 Cg_endo -75.08 -12.54 21.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.452 1.764 . . . . 2.08 110.979 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.46 -34.0 31.69 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.492 1.12 . . . . 2.18 110.287 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -110.55 0.03 17.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 3.12 110.929 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 50.04 30.68 4.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 2.82 111.02 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 21.8 mtt180 -135.77 158.94 43.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 3.82 110.317 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 28.3 m -106.02 124.19 49.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.96 110.419 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 393' ' ' TYR . . . . . 0.457 ' CE1' ' ND2' ' A' ' 386' ' ' ASN . 5.7 m-85 -82.18 122.19 27.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 2.0 110.939 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -112.66 116.48 30.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 2.19 111.06 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 395' ' ' PHE . . . . . 0.651 ' HE2' HG11 ' A' ' 432' ' ' VAL . 21.3 m-85 -97.24 115.16 27.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.432 1.083 . . . . 1.38 110.96 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 98.7 t -135.79 123.66 36.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 1.58 109.287 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 54.58 -151.95 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.431 1.082 . . . . 3.18 109.262 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 398' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 398' ' ' ASN . 7.2 p30 -88.62 42.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 3.33 109.324 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 399' ' ' GLN . . . . . 0.466 ' O ' HD11 ' A' ' 418' ' ' ILE . 2.3 mt-30 -141.62 163.14 33.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 2.51 110.26 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -127.3 113.19 15.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 2.24 111.011 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -109.49 155.63 21.1 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.043 -1.095 . . . . 5.52 108.043 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 -143.25 130.51 20.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 3.07 110.275 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 403' ' ' TYR . . . . . 0.459 ' CD1' ' HB2' ' A' ' 410' ' ' MET . 19.8 m-30 -113.37 157.6 21.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 8.21 110.992 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.23 121.08 31.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 2.96 109.271 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.63 -56.25 3.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 2.48 110.346 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 4.0 ppt_? -59.97 -35.24 74.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 6.36 110.292 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -87.96 -38.44 15.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 3.18 110.253 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 77.05 40.12 0.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 2.33 110.391 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 11.0 tpp -138.05 92.21 2.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 2.65 110.949 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 410' ' ' MET . . . . . 0.459 ' HB2' ' CD1' ' A' ' 403' ' ' TYR . 0.0 OUTLIER -53.98 136.09 41.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 1.98 110.954 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.69 113.36 55.4 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 3.22 109.335 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -55.19 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.541 1.811 . . . . 3.96 110.942 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . -75.8 65.81 2.5 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.438 1.086 . . . . 2.61 111.021 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 414' ' ' TYR . . . . . 0.427 ' N ' ' HD3' ' A' ' 415' ' ' PRO . 37.2 t80 -135.29 62.42 50.57 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 3.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 415' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.4 Cg_endo -74.99 106.13 2.22 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 2.47 110.993 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -135.86 -179.19 5.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.565 1.166 . . . . 2.47 109.297 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 417' ' ' LEU . . . . . 0.456 HD13 ' HD2' ' A' ' 420' ' ' LYS . 0.1 OUTLIER -131.97 145.99 51.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.136 . . . . 1.88 109.335 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 418' ' ' ILE . . . . . 0.565 HD12 ' O ' ' A' ' 427' ' ' PRO . 3.5 mt -70.65 -48.84 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 1.28 109.284 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 419' ' ' THR . . . . . 0.425 HG22 HD23 ' A' ' 417' ' ' LEU . 1.4 t -67.1 -35.96 80.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 1.44 110.414 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 420' ' ' LYS . . . . . 0.456 ' HD2' HD13 ' A' ' 417' ' ' LEU . 47.1 mttt -66.18 -62.73 1.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 2.15 109.283 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -51.81 -50.12 61.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 2.27 109.354 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 422' ' ' PHE . . . . . 0.4 ' HD1' ' CE1' ' A' ' 451' ' ' TYR . 61.7 m-85 -123.76 98.82 5.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 2.45 111.019 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -86.78 110.65 20.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 3.5 110.291 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 149.75 -29.88 1.14 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 1.49 111.024 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 425' ' ' ILE . . . . . 0.688 HG21 ' CG ' ' A' ' 442' ' ' PHE . 14.2 pt -88.37 -34.27 6.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.531 0.783 . . . . 2.41 109.304 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 115.06 -179.72 18.36 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.468 1.105 . . . . 0.92 110.987 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 427' ' ' PRO . . . . . 0.565 ' O ' HD12 ' A' ' 418' ' ' ILE . 18.2 Cg_endo -74.97 -34.55 3.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.529 1.805 . . . . 1.57 111.042 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.31 147.2 40.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 3.17 109.335 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 429' ' ' ILE . . . . . 0.526 HG21 ' CD2' ' A' ' 395' ' ' PHE . 5.1 tp -139.42 107.82 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 2.07 109.307 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 430' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 381' ' ' ASP . 8.7 m-20 -44.95 -67.4 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 2.23 109.326 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 431' ' ' ALA . . . . . 0.589 ' HA ' ' HB2' ' A' ' 382' ' ' ALA . . . -146.79 163.3 36.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 1.03 109.297 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.651 HG11 ' HE2' ' A' ' 395' ' ' PHE . 2.3 p -160.11 149.77 6.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.137 . . . . 1.98 109.235 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 433' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 441' ' ' TYR . 1.9 p90 -138.11 146.41 42.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 3.51 111.005 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 434' ' ' TYR . . . . . 0.457 ' CE2' ' HD3' ' A' ' 387' ' ' PRO . 4.2 t80 -105.15 98.12 7.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 3.41 110.949 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.69 -166.62 2.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 3.86 110.03 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 436' ' ' LYS . . . . . 0.419 ' HG3' ' CE1' ' A' ' 441' ' ' TYR . 30.6 mmtm 75.64 -141.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 6.57 109.341 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 437' ' ' ASN . . . . . 0.457 ' O ' ' CD2' ' A' ' 439' ' ' TYR . 8.2 m120 -112.94 98.83 7.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 5.47 109.363 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 438' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 437' ' ' ASN . 1.3 tppp? 38.83 41.09 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 3.39 109.295 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 439' ' ' TYR . . . . . 0.457 ' CD2' ' O ' ' A' ' 437' ' ' ASN . 8.0 m-85 -124.71 142.66 51.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 3.11 110.953 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 440' ' ' TYR . . . . . 0.445 ' HB3' ' CE1' ' A' ' 442' ' ' PHE . 44.6 m-85 -115.15 119.26 35.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.179 . . . . 3.05 110.947 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 441' ' ' TYR . . . . . 0.578 ' HB2' ' CE2' ' A' ' 433' ' ' PHE . 7.5 m-85 -98.41 117.11 32.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 2.8 110.983 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 442' ' ' PHE . . . . . 0.688 ' CG ' HG21 ' A' ' 425' ' ' ILE . 90.5 m-85 -110.53 130.14 55.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 3.59 110.97 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 443' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -109.63 110.79 21.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 4.99 110.986 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -133.88 69.04 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 3.18 110.285 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 116.37 -111.95 2.47 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.505 1.128 . . . . 2.32 110.963 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 81.8 p -126.58 39.36 3.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 1.93 109.95 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -150.76 143.0 24.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 2.56 109.326 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 448' ' ' GLN . . . . . 0.441 ' CG ' ' HB3' ' A' ' 462' ' ' LEU . 12.6 pt20 -123.77 105.52 9.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 3.46 110.316 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 449' ' ' PHE . . . . . 0.623 ' HD1' HG21 ' A' ' 458' ' ' ILE . 55.5 m-85 -83.56 151.88 25.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 2.61 111.021 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 0.481 ' OE1' ' CZ ' ' A' ' 441' ' ' TYR . 2.5 tt0 -113.97 92.12 3.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 4.11 110.322 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 451' ' ' TYR . . . . . 0.493 ' CD2' HG13 ' A' ' 458' ' ' ILE . 1.1 t80 -83.19 114.24 21.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 3.19 111.034 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.71 139.54 37.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 3.74 109.307 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -72.08 -8.5 54.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.584 1.178 . . . . 3.82 111.035 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 20.1 tp -45.1 -37.17 4.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 2.36 109.249 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -169.56 37.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.155 . . . . 2.24 109.325 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 39.26 57.47 2.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 4.28 110.318 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.77 138.6 27.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 4.29 110.272 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 458' ' ' ILE . . . . . 0.623 HG21 ' HD1' ' A' ' 449' ' ' PHE . 21.0 mt -81.7 110.63 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.581 1.176 . . . . 1.99 109.294 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 15.1 t -95.69 -32.08 12.93 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.47 1.107 . . . . 2.98 110.389 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.02 141.63 47.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 2.93 109.219 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 461' ' ' THR . . . . . 0.534 HG23 ' CD1' ' A' ' 449' ' ' PHE . 96.3 m -144.88 105.14 4.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 2.54 110.39 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 462' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 466' ' ' SER . 32.7 tp -100.53 160.93 13.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 3.42 109.263 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 463' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 466' ' ' SER . 0.0 OUTLIER -107.47 131.29 54.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 4.22 109.302 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 464' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 463' ' ' LYS . 37.1 p -35.96 -38.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 2.68 110.059 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -101.73 56.06 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 2.82 109.266 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 466' ' ' SER . . . . . 0.47 ' HB3' ' CD1' ' A' ' 462' ' ' LEU . 1.9 t -146.97 61.55 1.19 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 3.05 109.985 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -171.57 -42.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 4.99 107.996 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 468' ' ' PHE . . . . . 0.507 ' CD1' ' N ' ' A' ' 468' ' ' PHE . 1.2 m-30 -72.34 -24.55 61.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 6.15 110.958 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 98.5 57.29 1.0 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 2.57 111.068 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 N-CA-C 108.296 -1.002 . . . . 3.27 108.296 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 281' ' ' LEU . . . . . 0.964 HD11 ' OG1' ' A' ' 316' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.302 -0.629 . . . . 4.16 109.302 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 282' ' ' CYS . . . . . 1.058 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 3.8 t -173.65 44.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 4.2 108.306 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.03 134.41 1.16 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 4.41 109.282 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 284' ' ' PRO . . . . . 0.457 ' HB3' ' CB ' ' A' ' 463' ' ' LYS . 18.2 Cg_endo -75.01 69.68 5.5 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.494 1.786 . . . . 2.38 110.987 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -132.81 19.96 4.18 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.516 1.135 . . . . 4.3 109.297 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 4.4 tp -109.46 164.53 12.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 2.71 109.281 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 14.4 p -144.12 178.29 7.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 1.96 109.996 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 288' ' ' PHE . . . . . 0.752 ' CE2' ' CD1' ' A' ' 300' ' ' PHE . 19.8 m-85 -140.19 171.59 13.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 2.72 110.982 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -141.89 -51.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 3.4 109.289 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -147.61 130.1 15.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 1.01 109.285 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 291' ' ' VAL . . . . . 0.658 HG12 ' HB1' ' A' ' 431' ' ' ALA . 1.9 p -141.89 145.73 23.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 2.49 109.289 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 292' ' ' THR . . . . . 0.702 ' HB ' ' HB3' ' A' ' 335' ' ' ALA . 9.1 t -147.98 126.9 12.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 1.52 110.344 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 293' ' ' THR . . . . . 0.449 HG21 ' O ' ' A' ' 434' ' ' TYR . 12.7 t -90.57 155.65 18.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 2.07 110.418 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 294' ' ' VAL . . . . . 0.641 ' O ' HG23 ' A' ' 294' ' ' VAL . 28.6 m -145.84 82.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 3.49 109.33 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 295' ' ' GLY . . . . . 0.431 ' CA ' ' OE1' ' A' ' 339' ' ' GLU . . . 85.97 -106.71 3.08 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.51 1.131 . . . . 2.15 110.996 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -113.28 3.72 16.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 0.776 . . . . 3.62 109.289 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.514 ' HA ' HG11 ' A' ' 310' ' ' VAL . 1.8 mtpp -112.53 131.34 55.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 2.65 109.286 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 298' ' ' ILE . . . . . 0.655 HD12 ' HB ' ' A' ' 310' ' ' VAL . 1.3 mt -107.88 126.1 64.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 2.47 109.257 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -103.98 87.66 2.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 2.77 110.99 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 300' ' ' PHE . . . . . 0.752 ' CD1' ' CE2' ' A' ' 288' ' ' PHE . 0.4 OUTLIER -86.44 128.13 34.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 6.42 111.042 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 301' ' ' PHE . . . . . 0.415 ' N ' ' CD1' ' A' ' 300' ' ' PHE . 94.9 m-85 -113.17 151.58 30.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 2.47 110.996 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 302' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 305' ' ' PHE . 24.4 tptp -144.78 89.99 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 3.39 109.288 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 303' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 331' ' ' GLY . 3.0 m-20 63.76 -85.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 3.33 109.289 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 304' ' ' ARG . . . . . 0.443 ' O ' HD12 ' A' ' 321' ' ' ILE . 0.0 OUTLIER -120.78 -28.6 4.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.393 1.058 . . . . 4.52 110.315 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 305' ' ' PHE . . . . . 0.506 ' HB3' ' CH2' ' A' ' 307' ' ' TRP . 65.5 m-85 -93.52 149.32 21.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 3.27 110.935 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 306' ' ' PHE . . . . . 0.545 ' CD1' ' C ' ' A' ' 306' ' ' PHE . 2.1 p90 -135.62 160.82 37.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 1.58 110.988 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 307' ' ' TRP . . . . . 0.624 ' CD1' ' O ' ' A' ' 317' ' ' SER . 8.5 m-90 -137.59 127.55 25.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 4.46 107.983 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 308' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 298' ' ' ILE . 0.2 OUTLIER -124.51 125.74 44.71 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.502 1.126 . . . . 3.04 109.297 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 309' ' ' LYS . . . . . 0.78 ' HG2' HG22 ' A' ' 316' ' ' THR . 0.0 OUTLIER -170.19 136.52 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 4.23 109.306 179.896 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 310' ' ' VAL . . . . . 0.734 HG13 ' H ' ' A' ' 311' ' ' SER . 0.8 OUTLIER -176.98 -77.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.157 . . . . 3.3 109.272 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 311' ' ' SER . . . . . 0.734 ' H ' HG13 ' A' ' 310' ' ' VAL . 9.4 t -29.07 -90.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 4.0 110.048 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -114.43 -29.58 6.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 5.25 110.261 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 45.5 mtt85 -39.06 101.08 0.22 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 4.89 110.335 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 -24.33 13.17 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.507 1.793 . . . . 3.06 111.062 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -125.35 146.92 49.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 3.36 109.309 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 316' ' ' THR . . . . . 0.964 ' OG1' HD11 ' A' ' 281' ' ' LEU . 76.2 p -74.73 137.56 42.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.12 . . . . 1.39 110.374 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 317' ' ' SER . . . . . 0.624 ' O ' ' CD1' ' A' ' 307' ' ' TRP . 4.9 t -81.2 161.96 23.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 2.3 110.025 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 318' ' ' VAL . . . . . 0.615 HG22 ' HE1' ' A' ' 307' ' ' TRP . 6.7 t -131.91 109.78 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 3.09 109.313 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -153.21 176.58 11.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 2.27 109.309 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -109.12 157.24 18.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 1.71 109.308 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 321' ' ' ILE . . . . . 0.443 HD12 ' O ' ' A' ' 304' ' ' ARG . 5.3 mt -60.38 -71.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 1.19 109.334 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 16.0 m -41.36 -48.57 3.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 1.94 110.017 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 1.1 m -39.77 -36.64 0.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 1.86 110.014 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.97 -87.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 2.02 109.259 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -43.1 153.23 0.35 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 1.78 108.04 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 326' ' ' PRO . . . . . 0.4 ' HG2' ' CD ' ' A' ' 360' ' ' PRO . 18.2 Cg_endo -75.04 -69.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 1.05 110.954 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 327' ' ' THR . . . . . 0.788 ' O ' HD22 ' A' ' 328' ' ' LEU . 0.5 OUTLIER -128.57 96.67 4.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 1.48 110.391 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 328' ' ' LEU . . . . . 0.788 HD22 ' O ' ' A' ' 327' ' ' THR . 1.9 mm? -133.72 140.36 36.42 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 1.25 109.327 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 329' ' ' PRO . . . . . 0.659 ' HD2' HD13 ' A' ' 328' ' ' LEU . 18.3 Cg_endo -74.93 118.16 5.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.483 1.781 . . . . 2.02 110.979 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 2.6 p -67.86 147.8 52.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 2.47 109.948 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 331' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 303' ' ' ASP . . . 75.53 50.95 7.63 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.464 1.102 . . . . 1.32 111.035 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 8.7 mt -50.9 136.63 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 0.723 . . . . 1.62 109.321 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -79.69 -33.01 41.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 2.74 110.312 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -177.6 143.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 1.07 109.298 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 335' ' ' ALA . . . . . 0.702 ' HB3' ' HB ' ' A' ' 292' ' ' THR . . . -114.99 126.42 54.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 1.56 109.304 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 336' ' ' TYR . . . . . 0.595 ' C ' ' CD1' ' A' ' 336' ' ' TYR . 0.0 OUTLIER -139.95 103.4 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 3.54 110.967 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 337' ' ' GLU . . . . . 0.681 ' CB ' ' HA ' ' A' ' 344' ' ' VAL . 1.2 mm-40 -160.58 -176.04 5.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 7.93 110.263 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 338' ' ' ILE . . . . . 0.596 HD11 ' HD2' ' A' ' 385' ' ' PHE . 3.6 mm -133.99 162.33 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 4.93 109.327 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 339' ' ' GLU . . . . . 0.473 ' N ' ' CG2' ' A' ' 338' ' ' ILE . 10.0 pt-20 -89.06 -36.2 15.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 4.72 110.326 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -48.08 -27.04 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 3.03 109.29 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -95.13 -23.95 17.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 4.9 110.313 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 342' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 339' ' ' GLU . 5.0 t30 70.2 39.43 1.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 3.24 109.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -145.31 144.37 30.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 2.84 110.331 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 344' ' ' VAL . . . . . 0.681 ' HA ' ' CB ' ' A' ' 337' ' ' GLU . 74.0 t -127.41 124.13 63.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 2.07 109.283 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 345' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -98.54 103.27 15.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.386 1.054 . . . . 3.32 111.03 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.428 HD23 HD11 ' A' ' 328' ' ' LEU . 2.5 mm? -87.41 135.8 33.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.585 1.178 . . . . 1.66 109.274 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -105.3 148.11 27.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 2.43 110.962 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 348' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.0 OUTLIER -166.42 124.11 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 3.29 109.325 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 9.1 t0 53.65 -151.88 0.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.418 1.074 . . . . 3.8 109.279 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 350' ' ' ASP . . . . . 0.449 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 18.1 t70 -88.15 42.32 1.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 3.3 109.257 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.449 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 11.9 mtmm -156.11 155.74 33.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 2.81 109.256 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 352' ' ' TYR . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 366' ' ' LYS . 42.4 p90 -145.05 130.21 18.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 2.79 111.015 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -90.2 168.15 12.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 4.02 108.037 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 354' ' ' LEU . . . . . 0.952 HD23 ' CE2' ' A' ' 364' ' ' TYR . 0.1 OUTLIER -131.39 116.48 17.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 2.55 109.271 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.462 HD12 ' N ' ' A' ' 355' ' ' ILE . 1.8 mp -93.41 124.88 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 1.62 109.219 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 21.7 t -124.07 109.53 13.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 1.62 110.034 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 357' ' ' ASN . . . . . 0.432 ' O ' HD23 ' A' ' 358' ' ' LEU . 1.0 OUTLIER 57.14 48.35 15.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 4.54 109.28 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 358' ' ' LEU . . . . . 0.432 HD23 ' O ' ' A' ' 357' ' ' ASN . 0.2 OUTLIER 61.89 32.02 18.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 3.34 109.28 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -141.27 99.93 6.41 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 3.68 110.309 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 360' ' ' PRO . . . . . 0.42 ' HG3' ' CD2' ' A' ' 328' ' ' LEU . 18.3 Cg_endo -75.02 117.67 4.99 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.48 1.779 . . . . 2.28 110.98 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -42.35 125.12 2.84 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 3.17 110.29 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 133.65 16.83 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.459 1.768 . . . . 2.94 111.014 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 363' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 61.62 58.18 2.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 4.19 109.303 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 364' ' ' TYR . . . . . 0.952 ' CE2' HD23 ' A' ' 354' ' ' LEU . 7.5 t80 -134.93 57.62 22.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 2.96 110.982 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 365' ' ' PRO . . . . . 0.525 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -75.09 53.14 3.29 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.534 1.808 . . . . 1.47 111.003 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 366' ' ' LYS . . . . . 0.574 ' HG3' ' CE2' ' A' ' 364' ' ' TYR . 7.4 mmpt? -53.17 147.63 9.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 2.88 109.334 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 78.4 p -121.4 124.3 44.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 2.31 110.011 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 368' ' ' ILE . . . . . 0.606 ' N ' HD13 ' A' ' 368' ' ' ILE . 0.2 OUTLIER -42.95 -34.43 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 3.1 109.338 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 369' ' ' HIS . . . . . 0.44 ' HA ' ' CB ' ' A' ' 373' ' ' PHE . 0.8 OUTLIER -43.01 -28.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.564 1.165 . . . . 3.9 109.659 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 370' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 368' ' ' ILE . 0.3 OUTLIER -50.59 -22.19 1.89 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.534 1.146 . . . . 3.03 110.007 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 173.72 54.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 6.29 110.985 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 372' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 374' ' ' PRO . . . -162.33 -68.87 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.149 . . . . 2.98 110.974 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 373' ' ' PHE . . . . . 0.497 ' CZ ' ' HA ' ' A' ' 376' ' ' PHE . 22.1 t80 -35.01 96.25 0.1 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.483 0.755 . . . . 6.3 111.012 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 374' ' ' PRO . . . . . 0.437 ' N ' ' O ' ' A' ' 372' ' ' GLY . 18.6 Cg_endo -75.02 -61.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.799 . . . . 2.8 111.068 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -122.32 -74.1 0.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.591 1.182 . . . . 4.38 109.322 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 376' ' ' PHE . . . . . 0.497 ' HA ' ' CZ ' ' A' ' 373' ' ' PHE . 14.6 m-85 -141.93 53.52 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 7.48 111.008 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 377' ' ' VAL . . . . . . . . . . . . . 58.1 t -94.41 99.12 8.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.468 1.105 . . . . 2.87 109.371 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.14 30.49 4.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 3.21 109.312 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -174.57 110.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 2.02 109.277 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 8.1 mt -97.48 150.07 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.96 109.246 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.98 -54.28 4.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 2.15 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -159.78 165.12 33.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.79 109.265 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -156.74 129.83 7.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.82 109.261 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 384' ' ' VAL . . . . . 0.896 HG11 HG12 ' A' ' 432' ' ' VAL . 0.0 OUTLIER -132.14 170.22 20.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 2.6 109.279 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 385' ' ' PHE . . . . . 0.596 ' HD2' HD11 ' A' ' 338' ' ' ILE . 32.7 t80 -134.35 123.64 24.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 1.82 110.981 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -102.58 119.63 55.41 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 3.18 109.344 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -20.12 17.03 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.417 1.746 . . . . 1.76 111.026 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.99 -28.71 32.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 2.76 110.347 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.72 -1.41 21.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 4.13 111.009 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 39.86 44.49 1.37 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 3.5 111.029 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -147.47 141.57 26.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 2.97 110.295 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 392' ' ' THR . . . . . 0.637 HG23 ' O ' ' A' ' 384' ' ' VAL . 4.2 m -105.03 115.1 29.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 1.01 110.447 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -79.6 130.0 34.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 2.39 111.02 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -107.22 109.57 21.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 2.14 111.018 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -92.11 113.53 25.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 1.0 110.961 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 396' ' ' VAL . . . . . 0.454 HG12 ' CG ' ' A' ' 397' ' ' ASP . 88.5 t -137.41 125.94 33.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 1.57 109.321 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 397' ' ' ASP . . . . . 0.454 ' CG ' HG12 ' A' ' 396' ' ' VAL . 0.2 OUTLIER 52.83 -152.53 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 4.09 109.231 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -87.16 46.56 1.39 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.111 . . . . 3.28 109.349 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -145.4 164.82 30.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 2.69 110.275 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -126.69 133.71 50.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.602 1.189 . . . . 2.64 111.05 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 401' ' ' TRP . . . . . 0.527 ' CZ2' ' HA ' ' A' ' 412' ' ' PRO . 0.7 OUTLIER -117.46 168.51 10.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 5.11 108.0 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -152.37 116.16 4.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 4.34 110.268 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -100.13 125.35 46.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 6.33 111.02 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.41 125.54 27.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.57 1.168 . . . . 2.3 109.354 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -93.63 -49.59 5.8 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.45 1.094 . . . . 3.56 110.341 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -65.55 -24.17 67.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.18 . . . . 7.48 110.306 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 407' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.0 OUTLIER -97.64 -41.84 7.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 2.47 110.267 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 408' ' ' GLN . . . . . 0.44 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 1.0 OUTLIER 82.0 30.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 4.51 110.305 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 6.7 tpt -136.54 105.17 5.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 1.98 111.047 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.35 146.74 53.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 2.06 110.973 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -104.24 108.02 59.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 2.94 109.321 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 412' ' ' PRO . . . . . 0.527 ' HA ' ' CZ2' ' A' ' 401' ' ' TRP . 18.3 Cg_endo -74.99 -49.12 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.539 1.81 . . . . 4.45 110.982 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . -77.01 55.53 3.53 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.516 1.135 . . . . 2.28 110.948 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 414' ' ' TYR . . . . . 0.49 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 1.9 t80 -134.06 62.48 57.26 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.531 0.783 . . . . 2.03 110.988 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 415' ' ' PRO . . . . . 0.432 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -74.96 70.82 5.17 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.493 1.786 . . . . 1.56 111.046 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 416' ' ' LYS . . . . . 0.49 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 9.4 mmtt -78.53 179.41 7.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 2.9 109.294 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 417' ' ' LEU . . . . . 0.415 HD12 HG22 ' A' ' 419' ' ' THR . 0.6 OUTLIER -122.13 128.83 51.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 3.12 109.239 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 418' ' ' ILE . . . . . 0.741 HD13 ' O ' ' A' ' 427' ' ' PRO . 2.6 mp -56.98 -51.61 66.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 1.18 109.252 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 419' ' ' THR . . . . . 0.512 HG23 ' N ' ' A' ' 420' ' ' LYS . 4.6 t -59.28 -54.73 43.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 1.34 110.364 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 420' ' ' LYS . . . . . 0.512 ' N ' HG23 ' A' ' 419' ' ' THR . 72.4 mttt -49.22 -52.79 24.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 1.76 109.328 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -53.99 -48.74 70.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 3.16 109.265 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 422' ' ' PHE . . . . . 0.671 ' HB2' HD11 ' A' ' 425' ' ' ILE . 5.9 m-85 -136.34 99.75 4.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 3.13 110.968 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -76.92 111.97 13.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 2.37 110.326 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 141.06 -21.82 2.63 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.549 1.155 . . . . 1.43 110.978 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 425' ' ' ILE . . . . . 0.671 HD11 ' HB2' ' A' ' 422' ' ' PHE . 9.0 pt -95.92 -31.01 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 2.17 109.242 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 101.62 163.16 27.12 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.444 1.09 . . . . 0.95 111.003 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 427' ' ' PRO . . . . . 0.741 ' O ' HD13 ' A' ' 418' ' ' ILE . 18.4 Cg_endo -74.94 -1.64 11.47 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 1.84 110.999 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.16 136.23 52.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 2.31 109.292 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -133.93 158.35 42.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 2.08 109.308 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 430' ' ' ASP . . . . . 0.436 ' CB ' ' O ' ' A' ' 443' ' ' PHE . 0.9 OUTLIER -115.68 -59.76 1.96 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 2.78 109.329 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 431' ' ' ALA . . . . . 0.658 ' HB1' HG12 ' A' ' 291' ' ' VAL . . . -136.82 148.4 47.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.82 109.354 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.896 HG12 HG11 ' A' ' 384' ' ' VAL . 41.8 t -141.19 131.52 26.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 2.76 109.3 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 433' ' ' PHE . . . . . 0.464 ' CE1' ' HB3' ' A' ' 441' ' ' TYR . 18.0 p90 -145.72 122.94 11.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.453 1.095 . . . . 3.67 110.993 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 434' ' ' TYR . . . . . 0.449 ' O ' HG21 ' A' ' 293' ' ' THR . 69.7 t80 -90.34 100.27 13.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 3.48 111.011 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 435' ' ' SER . . . . . 0.443 ' HB2' HG21 ' A' ' 293' ' ' THR . 37.0 t -141.64 99.51 3.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 3.34 110.023 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 436' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt 176.18 -160.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 4.23 109.265 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -93.14 -35.19 13.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 6.09 109.262 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.47 54.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 3.01 109.343 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -144.02 163.42 33.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 2.42 110.963 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -128.54 127.69 42.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.077 . . . . 3.43 110.943 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 441' ' ' TYR . . . . . 0.464 ' HB3' ' CE1' ' A' ' 433' ' ' PHE . 14.4 m-85 -104.41 150.72 24.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.08 . . . . 2.64 110.958 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 442' ' ' PHE . . . . . 0.418 ' CD1' ' CG2' ' A' ' 425' ' ' ILE . 2.2 m-85 -145.94 142.52 28.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 3.66 111.008 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 443' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 464' ' ' SER . 0.2 OUTLIER -116.06 111.97 21.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 3.58 110.968 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 444' ' ' GLN . . . . . 0.402 ' O ' ' ND2' ' A' ' 447' ' ' ASN . 2.3 tm0? -130.74 62.07 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 4.06 110.269 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 445' ' ' GLY . . . . . 0.431 ' O ' ' ND2' ' A' ' 447' ' ' ASN . . . 90.97 79.36 1.38 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.123 . . . . 2.87 110.959 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 1.5 t 42.32 54.69 4.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 2.78 110.03 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 447' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 445' ' ' GLY . 59.0 m-20 -144.72 110.75 5.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 2.21 109.292 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.25 77.25 1.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 3.5 110.329 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -81.43 145.68 30.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 2.34 110.969 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 458' ' ' ILE . 0.2 OUTLIER -122.64 137.41 54.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 2.94 110.257 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 451' ' ' TYR . . . . . 0.415 ' CE2' ' CE1' ' A' ' 422' ' ' PHE . 73.1 t80 -115.16 129.93 56.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 3.89 110.978 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 452' ' ' ASP . . . . . 0.402 ' OD1' ' CB ' ' A' ' 454' ' ' LEU . 64.2 t0 -110.32 114.27 27.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 3.43 109.267 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -64.75 -18.77 65.35 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 4.79 110.956 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 454' ' ' LEU . . . . . 0.402 ' CB ' ' OD1' ' A' ' 452' ' ' ASP . 22.6 tp -42.96 -41.55 3.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 3.14 109.244 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 456' ' ' GLN . 1.4 pt? -170.16 43.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 2.64 109.301 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 456' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 455' ' ' LEU . 14.2 pt20 37.85 64.08 0.72 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.425 1.078 . . . . 5.38 110.312 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -125.28 110.44 14.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 3.42 110.34 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 458' ' ' ILE . . . . . 0.418 HG23 ' O ' ' A' ' 450' ' ' GLU . 81.3 mt -88.4 94.05 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.066 . . . . 2.03 109.376 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 10.6 p -107.17 45.51 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.58 1.175 . . . . 3.1 110.427 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 460' ' ' LYS . . . . . 0.663 ' HE2' HD22 ' A' ' 462' ' ' LEU . 0.0 OUTLIER -155.39 74.94 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 3.82 109.376 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 461' ' ' THR . . . . . 0.535 HG22 ' O ' ' A' ' 461' ' ' THR . 1.9 m -106.52 75.96 1.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 3.11 110.373 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 462' ' ' LEU . . . . . 0.744 HD11 ' CB ' ' A' ' 466' ' ' SER . 1.9 pt? -128.36 -179.73 5.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 2.82 109.302 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 463' ' ' LYS . . . . . 0.529 ' N ' ' CD ' ' A' ' 463' ' ' LYS . 0.1 OUTLIER -89.37 169.09 11.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 3.31 109.348 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 464' ' ' SER . . . . . 0.571 ' HB2' ' CE1' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -43.67 -28.4 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 2.04 109.969 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 465' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 468' ' ' PHE . 20.9 m120 -38.44 -34.35 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 3.8 109.372 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 466' ' ' SER . . . . . 0.744 ' CB ' HD11 ' A' ' 462' ' ' LEU . 0.9 OUTLIER -43.09 -47.21 6.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 4.18 109.97 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 467' ' ' TRP . . . . . 0.61 ' O ' ' CD1' ' A' ' 468' ' ' PHE . 0.1 OUTLIER -93.23 45.89 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.026 -1.101 . . . . 7.04 108.026 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 468' ' ' PHE . . . . . 0.676 ' CE2' HG21 ' A' ' 316' ' ' THR . 10.9 m-85 -159.35 -41.37 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 6.41 110.986 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 109.58 78.18 1.01 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.574 1.171 . . . . 4.21 111.011 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 470' ' ' CYS . . . . . 1.058 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 N-CA-C 108.294 -1.002 . . . . 5.38 108.294 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 281' ' ' LEU . . . . . 0.723 HD23 ' CH2' ' A' ' 307' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.297 -0.631 . . . . 2.81 109.297 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 282' ' ' CYS . . . . . 1.022 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 0.1 OUTLIER 174.1 -75.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 4.43 108.32 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.13 131.12 92.23 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 4.05 109.285 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 84.02 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.524 1.802 . . . . 2.35 110.991 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -155.09 26.2 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 2.53 109.311 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 286' ' ' LEU . . . . . 0.518 HD22 ' CZ3' ' A' ' 307' ' ' TRP . 0.4 OUTLIER -103.14 161.38 13.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.118 . . . . 2.13 109.339 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 71.0 m -144.6 162.83 35.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 2.6 109.977 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -131.88 157.11 44.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 2.04 110.933 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -98.22 -47.59 5.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 2.74 109.262 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -143.76 155.18 44.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.86 109.303 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 291' ' ' VAL . . . . . 0.837 HG22 ' HB1' ' A' ' 431' ' ' ALA . 29.4 m -142.24 129.8 20.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.372 1.045 . . . . 2.14 109.333 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 6.4 t -155.04 130.21 9.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 1.17 110.303 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 10.0 t -110.14 156.99 19.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 2.91 110.458 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 24.2 t -140.02 93.5 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 1.88 109.297 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 82.23 -115.45 4.02 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 1.89 111.0 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -106.49 9.04 31.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 3.46 109.264 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.793 ' HA ' HG23 ' A' ' 310' ' ' VAL . 7.1 tttt -114.66 141.27 48.03 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.567 1.167 . . . . 4.13 109.282 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 11.3 mt -119.65 140.48 43.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 2.46 109.266 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 299' ' ' PHE . . . . . 0.558 ' CZ ' ' HG2' ' A' ' 297' ' ' LYS . 35.0 m-85 -128.71 138.64 52.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 2.86 111.009 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 300' ' ' PHE . . . . . 0.434 ' O ' ' HA ' ' A' ' 306' ' ' PHE . 24.3 m-85 -131.43 118.39 20.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 2.65 111.039 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -89.46 145.35 25.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 2.48 110.927 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -153.92 71.57 0.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 3.04 109.312 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 43.81 85.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 3.18 109.328 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 75.89 -56.29 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 7.08 110.33 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 305' ' ' PHE . . . . . 0.528 ' CD2' ' HB ' ' A' ' 318' ' ' VAL . 3.2 m-85 -80.06 122.54 26.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 3.06 111.041 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 306' ' ' PHE . . . . . 0.694 ' HB3' HD11 ' A' ' 321' ' ' ILE . 52.3 p90 -121.85 137.79 54.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.448 1.092 . . . . 1.79 111.046 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 307' ' ' TRP . . . . . 0.723 ' CH2' HD23 ' A' ' 281' ' ' LEU . 4.2 m0 -89.4 127.69 35.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 5.41 107.999 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 308' ' ' LEU . . . . . 0.417 ' O ' HG22 ' A' ' 316' ' ' THR . 0.3 OUTLIER -115.35 119.07 35.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.078 . . . . 1.76 109.307 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 309' ' ' LYS . . . . . 0.481 ' HB2' HG22 ' A' ' 316' ' ' THR . 6.4 tptt -136.93 90.26 2.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 2.14 109.274 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 310' ' ' VAL . . . . . 0.793 HG23 ' HA ' ' A' ' 297' ' ' LYS . 7.7 p -114.11 170.06 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 3.16 109.364 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 311' ' ' SER . . . . . 0.505 ' H ' HG22 ' A' ' 310' ' ' VAL . 0.6 OUTLIER -58.5 139.32 55.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 4.99 110.004 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 70.39 33.13 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 4.71 110.276 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -106.41 131.3 21.83 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 5.55 110.303 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -43.23 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.482 1.78 . . . . 2.41 110.991 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.03 172.25 17.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.09 . . . . 3.37 109.333 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 316' ' ' THR . . . . . 0.569 HG21 ' HD1' ' A' ' 468' ' ' PHE . 32.6 p -95.04 131.33 41.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 1.56 110.435 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.47 176.46 6.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 2.1 109.945 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 318' ' ' VAL . . . . . 0.528 ' HB ' ' CD2' ' A' ' 305' ' ' PHE . 0.7 OUTLIER -142.1 60.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 2.49 109.252 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 319' ' ' ASN . . . . . 0.436 ' O ' ' CD1' ' A' ' 306' ' ' PHE . 0.8 OUTLIER -94.41 174.23 7.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 2.44 109.274 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.658 ' H ' HD23 ' A' ' 320' ' ' LEU . 0.9 OUTLIER -88.94 141.12 28.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 4.26 109.365 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 321' ' ' ILE . . . . . 0.694 HD11 ' HB3' ' A' ' 306' ' ' PHE . 2.5 mt -70.16 -50.23 48.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 1.87 109.236 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 322' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 324' ' ' LEU . 0.5 OUTLIER -38.2 -37.61 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 2.42 109.988 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 13.0 t -41.31 -27.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 2.99 109.987 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 324' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 322' ' ' SER . 3.2 mp -113.45 -73.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 2.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 325' ' ' TRP . . . . . 0.619 ' CH2' HD21 ' A' ' 346' ' ' LEU . 5.2 m0 -51.84 139.59 31.35 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 2.35 108.024 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 326' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 325' ' ' TRP . 18.2 Cg_endo -74.98 -87.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.512 1.796 . . . . 1.59 111.017 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 327' ' ' THR . . . . . 0.838 ' O ' HD22 ' A' ' 328' ' ' LEU . 1.4 t -97.75 89.58 4.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 1.98 110.443 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 328' ' ' LEU . . . . . 0.838 HD22 ' O ' ' A' ' 327' ' ' THR . 3.7 mm? -140.95 162.28 49.26 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 1.87 109.293 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 329' ' ' PRO . . . . . 0.435 ' O ' ' CB ' ' A' ' 330' ' ' SER . 18.3 Cg_endo -75.0 -41.78 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.555 1.819 . . . . 3.12 110.997 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 330' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 329' ' ' PRO . 0.9 OUTLIER 80.07 1.1 2.05 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.553 1.158 . . . . 5.11 110.022 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -140.3 57.29 0.6 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.517 1.135 . . . . 1.76 110.973 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.586 HD13 HD12 ' A' ' 346' ' ' LEU . 1.5 mp -70.15 149.27 10.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.441 0.73 . . . . 1.75 109.301 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -106.36 -21.29 13.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.587 1.179 . . . . 3.52 110.326 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -141.61 111.58 6.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.88 109.299 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -120.59 136.52 54.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.92 109.34 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 336' ' ' TYR . . . . . 0.515 ' C ' ' CD1' ' A' ' 336' ' ' TYR . 0.0 OUTLIER -127.5 171.97 11.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 3.6 110.941 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 337' ' ' GLU . . . . . 0.904 ' OE1' HG22 ' A' ' 344' ' ' VAL . 50.5 tp10 -147.49 159.75 43.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 3.5 110.343 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 338' ' ' ILE . . . . . 0.642 ' O ' HG23 ' A' ' 338' ' ' ILE . 1.3 tt -152.1 100.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 3.45 109.334 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.31 -14.74 62.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 2.8 110.323 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -69.27 -50.92 42.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 2.57 109.284 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 341' ' ' ARG . . . . . 0.466 ' O ' ' CB ' ' A' ' 342' ' ' ASN . 14.3 mtp180 -89.57 -32.24 17.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 3.46 110.301 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 342' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 341' ' ' ARG . 0.5 OUTLIER 79.37 52.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 2.8 109.253 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.18 148.17 39.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 4.44 110.327 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 344' ' ' VAL . . . . . 0.904 HG22 ' OE1' ' A' ' 337' ' ' GLU . 23.3 t -116.09 139.46 42.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 1.8 109.252 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 345' ' ' PHE . . . . . 0.403 ' HB2' ' CD1' ' A' ' 336' ' ' TYR . 0.0 OUTLIER -122.58 137.86 54.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 3.71 110.955 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.619 HD21 ' CH2' ' A' ' 325' ' ' TRP . 2.5 mm? -118.11 131.23 56.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 1.46 109.288 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -109.73 140.07 44.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.09 . . . . 2.57 111.021 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 348' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.1 OUTLIER -160.48 111.11 1.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 4.42 109.368 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 3.1 t0 57.51 -150.4 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 3.03 109.349 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 350' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 38.6 p-10 -84.78 41.26 0.85 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 3.19 109.219 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.409 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 10.8 mttp -156.43 141.53 17.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 1.65 109.335 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 352' ' ' TYR . . . . . 0.669 ' CD1' HG23 ' A' ' 368' ' ' ILE . 43.7 p90 -146.96 123.92 11.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.423 1.077 . . . . 2.83 111.019 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 353' ' ' TRP . . . . . 0.435 ' CZ3' ' O ' ' A' ' 361' ' ' GLU . 31.4 m95 -92.05 158.63 16.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 5.92 107.979 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 354' ' ' LEU . . . . . 0.762 HD12 ' C ' ' A' ' 354' ' ' LEU . 0.0 OUTLIER -118.9 117.22 28.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 1.77 109.288 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.541 HD13 HD23 ' A' ' 346' ' ' LEU . 2.7 mp -91.37 107.94 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 1.36 109.281 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 18.3 t -87.59 98.6 11.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 1.7 109.973 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 73.93 -63.68 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 3.55 109.362 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -165.97 30.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 3.4 109.295 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 1.5 tpt85 -148.21 115.73 3.99 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 5.04 110.26 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 360' ' ' PRO . . . . . 0.49 ' HA ' ' O ' ' A' ' 354' ' ' LEU . 18.2 Cg_endo -75.01 137.78 22.15 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.558 1.82 . . . . 1.5 111.021 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 361' ' ' GLU . . . . . 0.435 ' O ' ' CZ3' ' A' ' 353' ' ' TRP . 16.6 mm-40 -56.99 122.2 51.38 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 2.32 110.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.23 15.22 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 2.12 110.984 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 363' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 62.73 61.4 1.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 4.41 109.309 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 364' ' ' TYR . . . . . 0.522 ' N ' ' HD3' ' A' ' 365' ' ' PRO . 2.6 t80 -135.75 57.46 19.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 3.61 111.053 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 365' ' ' PRO . . . . . 0.522 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -74.98 49.4 2.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 1.43 110.999 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 366' ' ' LYS . . . . . 0.436 ' CB ' ' CZ ' ' A' ' 352' ' ' TYR . 7.2 mmpt? -51.82 153.89 2.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 2.2 109.251 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 367' ' ' SER . . . . . 0.487 ' HB3' ' CE1' ' A' ' 369' ' ' HIS . 18.4 m -122.61 120.95 35.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 1.78 110.042 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 368' ' ' ILE . . . . . 0.669 HG23 ' CD1' ' A' ' 352' ' ' TYR . 8.4 pt -60.52 -31.43 48.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 1.97 109.276 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 369' ' ' HIS . . . . . 0.487 ' CE1' ' HB3' ' A' ' 367' ' ' SER . 6.4 p80 -68.15 -29.66 68.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 4.17 109.677 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 29.1 t -68.62 -7.81 36.36 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.541 1.15 . . . . 2.53 109.967 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -99.64 36.32 1.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 5.05 111.078 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . 121.04 -69.99 0.4 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.485 1.115 . . . . 3.8 110.986 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 373' ' ' PHE . . . . . 0.565 ' O ' ' CD2' ' A' ' 373' ' ' PHE . 3.4 t80 58.16 102.72 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.439 0.729 . . . . 5.08 110.963 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 374' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -78.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 2.94 111.006 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 375' ' ' ASN . . . . . 0.496 ' ND2' ' H ' ' A' ' 376' ' ' PHE . 0.4 OUTLIER -122.61 -75.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 6.63 109.308 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 376' ' ' PHE . . . . . 0.496 ' H ' ' ND2' ' A' ' 375' ' ' ASN . 1.6 t80 -126.91 82.57 2.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 7.61 110.961 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 377' ' ' VAL . . . . . . . . . . . . . 87.5 t -126.11 80.54 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 2.57 109.351 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.05 -0.44 10.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 3.65 109.335 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.19 127.1 7.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 3.4 109.312 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 9.0 mt -98.46 150.15 5.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 1.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.89 -47.04 13.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 1.92 109.299 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 382' ' ' ALA . . . . . 0.774 ' HB1' HG22 ' A' ' 432' ' ' VAL . . . -153.39 158.12 40.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.81 109.26 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -150.74 120.38 6.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.86 109.346 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 384' ' ' VAL . . . . . 0.766 ' HB ' HG23 ' A' ' 432' ' ' VAL . 9.0 p -140.29 157.06 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.374 1.047 . . . . 2.08 109.28 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 385' ' ' PHE . . . . . 0.427 ' CD1' HD12 ' A' ' 338' ' ' ILE . 51.8 t80 -98.42 153.43 18.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 2.09 111.021 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 386' ' ' ASN . . . . . 0.431 ' ND2' ' CE1' ' A' ' 393' ' ' TYR . 0.3 OUTLIER -113.46 120.87 38.85 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 2.86 109.322 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -44.38 0.34 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 2.5 111.009 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 1.3 tpt85 -84.39 44.06 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 2.65 110.3 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 389' ' ' PHE . . . . . 0.589 ' C ' ' CG ' ' A' ' 390' ' ' TYR . 0.1 OUTLIER -171.07 -36.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 2.75 110.986 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 390' ' ' TYR . . . . . 0.589 ' CG ' ' C ' ' A' ' 389' ' ' PHE . 1.9 m-85 73.01 30.07 1.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 2.87 110.992 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 10.6 mtt85 -133.92 154.29 51.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 3.11 110.3 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 392' ' ' THR . . . . . 0.647 HG22 ' H ' ' A' ' 393' ' ' TYR . 20.7 m -86.35 179.4 6.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 1.55 110.406 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 393' ' ' TYR . . . . . 0.647 ' H ' HG22 ' A' ' 392' ' ' THR . 7.5 m-85 -136.41 113.13 10.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 1.78 110.984 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -99.4 103.65 15.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 3.11 111.017 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 395' ' ' PHE . . . . . 0.474 ' CG ' HG21 ' A' ' 429' ' ' ILE . 18.5 m-85 -101.74 112.22 24.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 1.47 111.024 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 396' ' ' VAL . . . . . 0.869 HG22 ' OD1' ' A' ' 397' ' ' ASP . 3.9 p -138.85 130.94 37.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.39 1.056 . . . . 2.74 109.281 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 397' ' ' ASP . . . . . 0.869 ' OD1' HG22 ' A' ' 396' ' ' VAL . 0.1 OUTLIER 55.7 -152.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 3.25 109.284 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 398' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 398' ' ' ASN . 34.1 t30 -87.97 50.31 1.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 3.76 109.311 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 399' ' ' GLN . . . . . 0.449 ' HB3' ' CZ3' ' A' ' 401' ' ' TRP . 0.2 OUTLIER -150.18 167.02 28.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 2.52 110.303 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 400' ' ' TYR . . . . . 0.453 ' CE1' ' O ' ' A' ' 401' ' ' TRP . 0.6 OUTLIER -143.39 120.08 11.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 2.72 110.976 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 401' ' ' TRP . . . . . 0.453 ' O ' ' CE1' ' A' ' 400' ' ' TYR . 11.6 m-90 -108.84 179.49 4.16 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.943 -1.132 . . . . 5.06 107.943 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 402' ' ' ARG . . . . . 0.41 ' NH1' ' CD2' ' A' ' 389' ' ' PHE . 1.3 tpp180 -145.31 127.31 15.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.581 1.176 . . . . 4.12 110.259 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -119.0 129.64 55.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 5.13 111.016 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.39 128.5 35.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 3.01 109.278 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -86.22 -50.63 6.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.599 1.187 . . . . 4.18 110.329 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -61.36 -56.64 18.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 10.45 110.233 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -67.23 -38.75 85.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 4.06 110.3 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 70.5 49.77 0.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 5.19 110.34 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 4.6 tpt -149.81 100.73 2.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 2.32 111.071 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.17 140.04 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 2.14 110.97 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.88 158.68 85.46 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 4.33 109.261 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 412' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -75.01 134.46 17.82 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.463 1.77 . . . . 3.58 111.039 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 43.37 -92.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.424 1.077 . . . . 3.19 110.974 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 414' ' ' TYR . . . . . 0.587 ' N ' ' HD3' ' A' ' 415' ' ' PRO . 0.1 OUTLIER 63.79 53.89 1.57 Allowed Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.517 0.775 . . . . 3.43 111.037 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 415' ' ' PRO . . . . . 0.587 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.4 Cg_endo -74.89 60.34 5.33 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.524 1.802 . . . . 2.82 111.032 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt -92.45 177.14 6.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 6.65 109.265 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.26 163.44 20.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 2.77 109.29 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 418' ' ' ILE . . . . . 0.435 HD11 ' N ' ' A' ' 399' ' ' GLN . 2.8 mp -70.18 -56.39 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 1.3 109.281 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 419' ' ' THR . . . . . 0.495 HG23 ' N ' ' A' ' 420' ' ' LYS . 3.9 t -57.12 -54.11 50.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 1.67 110.414 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 420' ' ' LYS . . . . . 0.495 ' N ' HG23 ' A' ' 419' ' ' THR . 1.1 mttt -40.59 -52.42 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 3.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -70.58 -62.97 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 2.99 109.323 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 422' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -118.93 80.97 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 2.78 111.022 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 423' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 419' ' ' THR . 0.0 OUTLIER -87.2 66.84 9.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 3.31 110.321 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -118.72 -18.36 4.82 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.5 1.125 . . . . 1.68 111.023 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 425' ' ' ILE . . . . . 0.737 ' N ' HD13 ' A' ' 425' ' ' ILE . 0.2 OUTLIER -126.41 -43.38 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 3.62 109.298 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 426' ' ' GLY . . . . . 0.444 ' C ' ' H ' ' A' ' 428' ' ' LYS . . . 152.09 175.35 23.65 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.458 1.099 . . . . 1.07 111.032 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 427' ' ' PRO . . . . . 0.46 ' HB3' ' CG2' ' A' ' 419' ' ' THR . 18.1 Cg_endo -75.07 40.97 0.7 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.45 1.763 . . . . 1.91 110.916 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' A' ' 426' ' ' GLY . 0.0 OUTLIER -159.72 141.07 12.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 2.74 109.311 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 429' ' ' ILE . . . . . 0.488 ' CD1' ' HB3' ' A' ' 442' ' ' PHE . 7.5 tp -133.88 154.28 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 1.86 109.351 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -117.91 -60.01 1.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 2.82 109.279 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 431' ' ' ALA . . . . . 0.837 ' HB1' HG22 ' A' ' 291' ' ' VAL . . . -137.21 146.41 44.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.77 109.268 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.774 HG22 ' HB1' ' A' ' 382' ' ' ALA . 29.3 m -149.63 138.81 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 2.79 109.274 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 433' ' ' PHE . . . . . 0.684 ' HB3' HG23 ' A' ' 291' ' ' VAL . 1.5 p90 -155.0 146.18 22.81 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 2.76 111.019 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -97.62 106.56 18.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 3.98 110.998 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 435' ' ' SER . . . . . 0.547 ' HB3' ' CE2' ' A' ' 433' ' ' PHE . 98.5 p -116.39 -36.09 4.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 2.94 110.0 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 436' ' ' LYS . . . . . 0.411 ' CB ' ' HB2' ' A' ' 439' ' ' TYR . 3.5 mmmt -62.0 -169.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 4.53 109.318 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -91.35 -46.39 8.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 4.88 109.326 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 438' ' ' LYS . . . . . 0.409 ' CG ' ' O ' ' A' ' 438' ' ' LYS . 0.0 OUTLIER -146.67 58.08 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 4.26 109.284 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 439' ' ' TYR . . . . . 0.504 ' CD1' ' OE2' ' A' ' 450' ' ' GLU . 89.1 m-85 -152.46 166.61 31.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.576 1.172 . . . . 2.42 111.022 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -128.94 132.26 47.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 3.3 111.039 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 441' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -102.47 123.65 46.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 2.14 111.032 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 442' ' ' PHE . . . . . 0.488 ' HB3' ' CD1' ' A' ' 429' ' ' ILE . 15.1 m-85 -123.32 146.1 48.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 3.55 110.999 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 443' ' ' PHE . . . . . 0.552 ' CD1' ' C ' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -148.75 144.44 27.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 5.76 110.973 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -153.84 85.61 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.077 . . . . 4.84 110.322 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 124.19 -89.8 0.4 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.141 . . . . 2.12 111.0 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.8 43.99 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 2.71 109.978 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -154.6 144.8 21.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 2.55 109.275 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -127.22 95.98 4.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 3.96 110.293 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 449' ' ' PHE . . . . . 0.482 ' HB2' ' CG2' ' A' ' 425' ' ' ILE . 3.8 m-85 -88.64 162.22 16.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 2.45 111.003 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 0.504 ' OE2' ' CD1' ' A' ' 439' ' ' TYR . 45.1 tt0 -123.45 143.94 49.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 2.77 110.307 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -115.08 153.13 31.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 2.91 111.029 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -141.3 127.82 20.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 3.24 109.305 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 453' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 454' ' ' LEU . 25.6 t80 -64.22 -15.95 61.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 3.65 110.904 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 454' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 453' ' ' PHE . 6.6 tp -39.6 -48.14 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 2.74 109.318 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.472 HD13 ' HG3' ' A' ' 457' ' ' ARG . 0.3 OUTLIER -171.88 37.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 3.21 109.334 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 46.85 74.0 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 3.34 110.282 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 457' ' ' ARG . . . . . 0.472 ' HG3' HD13 ' A' ' 455' ' ' LEU . 0.0 OUTLIER -139.81 176.18 8.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 4.38 110.297 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 1.1 mp -112.87 122.24 66.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 1.75 109.32 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 45.4 p -95.74 -55.83 2.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 3.98 110.39 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.02 157.48 24.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.592 1.183 . . . . 5.57 109.274 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 461' ' ' THR . . . . . 0.614 ' C ' HD13 ' A' ' 462' ' ' LEU . 3.2 m -152.86 113.83 4.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 2.78 110.376 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 462' ' ' LEU . . . . . 0.614 HD13 ' C ' ' A' ' 461' ' ' THR . 0.3 OUTLIER -102.1 169.79 8.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 2.61 109.277 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.79 59.2 1.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.092 . . . . 3.38 109.315 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 59.8 p 42.64 36.07 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 2.92 110.032 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -175.93 54.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 2.8 109.408 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 466' ' ' SER . . . . . 0.594 ' O ' ' CD1' ' A' ' 467' ' ' TRP . 3.6 m -112.78 -17.23 12.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 2.64 110.039 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 467' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 466' ' ' SER . 9.5 m0 -145.41 68.19 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 6.33 108.026 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 468' ' ' PHE . . . . . 0.569 ' HD1' HG21 ' A' ' 316' ' ' THR . 88.0 m-85 -162.35 -66.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 7.33 111.023 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -132.25 -46.84 0.12 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 2.54 110.976 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 470' ' ' CYS . . . . . 1.022 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 39.6 m . . . . . 0 C--N 1.325 -0.463 0 N-CA-C 108.301 -1.0 . . . . 4.25 108.301 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 281' ' ' LEU . . . . . 0.413 ' HG ' ' CE2' ' A' ' 468' ' ' PHE . 1.9 mm? . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.29 -0.633 . . . . 3.75 109.29 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 282' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.42 60.13 3.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 4.27 108.277 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -178.94 111.43 0.21 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 4.65 109.301 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 90.64 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.557 1.819 . . . . 1.95 110.969 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -170.57 48.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 3.93 109.354 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 286' ' ' LEU . . . . . 0.522 HD23 ' N ' ' A' ' 287' ' ' SER . 6.5 tt -113.03 163.68 14.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 3.2 109.362 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 287' ' ' SER . . . . . 0.522 ' N ' HD23 ' A' ' 286' ' ' LEU . 54.4 p -142.93 163.18 33.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 2.09 110.0 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -124.49 176.99 6.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 2.04 111.049 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.46 -48.74 0.9 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.103 . . . . 3.32 109.299 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -137.58 147.91 45.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 1.05 109.254 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 291' ' ' VAL . . . . . 0.742 HG22 ' HB1' ' A' ' 431' ' ' ALA . 28.1 m -147.24 140.91 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 2.28 109.334 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -151.04 156.83 41.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 1.38 110.383 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 293' ' ' THR . . . . . 0.633 HG21 ' CB ' ' A' ' 435' ' ' SER . 8.8 t -121.59 141.0 51.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 2.55 110.426 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 87.3 t -128.11 122.0 57.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 2.12 109.338 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 57.35 -118.27 12.05 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 1.69 110.944 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 296' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 296' ' ' ASN . 7.7 t30 -109.52 23.29 14.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 4.29 109.343 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.888 ' HA ' HG21 ' A' ' 310' ' ' VAL . 18.3 mtmm -131.03 165.56 22.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.073 . . . . 3.96 109.292 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 298' ' ' ILE . . . . . 0.927 HD12 HG23 ' A' ' 310' ' ' VAL . 5.7 mt -124.39 135.72 62.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 2.88 109.27 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 299' ' ' PHE . . . . . 0.469 ' CZ ' HD11 ' A' ' 308' ' ' LEU . 8.1 m-85 -133.35 97.85 4.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 3.5 111.031 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 300' ' ' PHE . . . . . 0.429 ' O ' ' HB2' ' A' ' 306' ' ' PHE . 26.3 m-85 -80.8 156.99 25.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 2.87 111.04 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 301' ' ' PHE . . . . . 0.492 ' HB3' HD13 ' A' ' 332' ' ' ILE . 9.3 m-85 -131.17 157.91 41.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 3.37 111.01 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 302' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 305' ' ' PHE . 0.0 OUTLIER -165.14 143.12 6.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 4.05 109.305 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 303' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 304' ' ' ARG . 3.7 t0 -42.3 144.69 0.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.592 1.182 . . . . 4.44 109.295 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 304' ' ' ARG . . . . . 0.752 ' O ' HD12 ' A' ' 320' ' ' LEU . 0.0 OUTLIER 68.86 -72.14 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 6.6 110.363 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 305' ' ' PHE . . . . . 0.491 ' O ' ' O ' ' A' ' 302' ' ' LYS . 7.2 m-85 -127.43 159.1 35.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 2.72 110.988 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 306' ' ' PHE . . . . . 0.44 ' CB ' ' HA ' ' A' ' 301' ' ' PHE . 8.8 p90 -119.73 176.09 5.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 2.13 110.981 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 307' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -127.4 162.47 26.25 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.552 1.158 . . . . 4.61 108.038 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 308' ' ' LEU . . . . . 0.71 HD23 ' N ' ' A' ' 309' ' ' LYS . 3.1 tt -153.79 122.81 6.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 3.87 109.278 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 309' ' ' LYS . . . . . 0.71 ' N ' HD23 ' A' ' 308' ' ' LEU . 3.4 tptt -152.35 117.05 5.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 2.91 109.291 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 310' ' ' VAL . . . . . 0.927 HG23 HD12 ' A' ' 298' ' ' ILE . 2.4 p -140.17 -173.29 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 4.36 109.251 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 311' ' ' SER . . . . . 0.726 ' H ' HG22 ' A' ' 310' ' ' VAL . 4.8 m -66.47 141.05 58.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 7.88 110.018 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 72.19 28.24 2.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 6.28 110.332 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 313' ' ' ARG . . . . . 0.406 ' NH2' ' HB2' ' A' ' 317' ' ' SER . 8.3 tpt180 -106.5 116.24 59.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 4.68 110.289 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -21.67 15.64 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 2.42 111.031 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -169.88 159.92 8.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 4.33 109.329 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 316' ' ' THR . . . . . 0.475 HG22 ' HD2' ' A' ' 309' ' ' LYS . 10.3 p -81.45 127.32 32.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 1.64 110.411 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 317' ' ' SER . . . . . 0.406 ' HB2' ' NH2' ' A' ' 313' ' ' ARG . 0.5 OUTLIER -89.5 98.95 12.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 2.36 109.997 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 74.3 t -91.25 122.78 43.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 3.05 109.309 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 319' ' ' ASN . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 306' ' ' PHE . 2.9 m120 -142.05 179.55 6.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 2.29 109.331 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.752 HD12 ' O ' ' A' ' 304' ' ' ARG . 12.4 tp -98.83 152.78 19.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 2.21 109.316 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 321' ' ' ILE . . . . . 0.516 HG22 ' N ' ' A' ' 322' ' ' SER . 0.7 OUTLIER -66.24 -65.83 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.426 1.079 . . . . 1.32 109.327 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 322' ' ' SER . . . . . 0.516 ' N ' HG22 ' A' ' 321' ' ' ILE . 0.2 OUTLIER -39.9 -49.58 2.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 1.94 109.962 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 1.1 m -41.27 -37.54 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 1.66 109.988 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 324' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 321' ' ' ILE . 1.4 mt -102.24 -83.18 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 2.34 109.322 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -51.24 152.62 4.04 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 2.09 108.004 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 326' ' ' PRO . . . . . 0.465 ' HG2' ' CG ' ' A' ' 360' ' ' PRO . 18.5 Cg_endo -74.98 -82.32 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.458 1.767 . . . . 1.14 111.035 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 327' ' ' THR . . . . . 0.453 ' O ' HG23 ' A' ' 327' ' ' THR . 2.2 t -126.4 98.73 5.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 1.92 110.367 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 328' ' ' LEU . . . . . 0.462 HD13 ' CD ' ' A' ' 329' ' ' PRO . 0.6 OUTLIER -115.41 162.15 26.26 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 1.78 109.311 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 329' ' ' PRO . . . . . 0.462 ' CD ' HD13 ' A' ' 328' ' ' LEU . 18.3 Cg_endo -74.98 -3.01 13.29 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.507 1.793 . . . . 3.57 111.03 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 330' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 331' ' ' GLY . 0.8 OUTLIER 50.19 -155.23 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 3.15 109.993 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 331' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 330' ' ' SER . . . 32.15 41.07 0.08 OUTLIER Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.55 1.156 . . . . 1.69 110.984 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.492 HD13 ' HB3' ' A' ' 301' ' ' PHE . 2.1 mp -50.67 124.05 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.58 0.812 . . . . 1.98 109.327 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.09 -41.61 9.86 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.593 1.183 . . . . 2.93 110.308 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -150.28 136.87 19.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 1.2 109.313 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -127.35 133.75 50.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 1.16 109.344 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 336' ' ' TYR . . . . . 0.542 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 7.3 p90 -151.36 123.43 8.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 3.12 111.007 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 337' ' ' GLU . . . . . 0.59 ' HB3' HG12 ' A' ' 344' ' ' VAL . 2.7 pt-20 -117.99 154.44 31.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 3.8 110.291 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 338' ' ' ILE . . . . . 0.843 HD11 ' HB3' ' A' ' 385' ' ' PHE . 27.2 mm -126.64 98.34 4.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 3.79 109.288 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -46.47 -28.27 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 4.21 110.328 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 340' ' ' ALA . . . . . 0.532 ' HB3' HG22 ' A' ' 338' ' ' ILE . . . -61.09 -40.72 94.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 1.89 109.312 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.66 -10.38 37.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 3.54 110.3 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 2.1 t30 53.39 42.49 32.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 2.41 109.304 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -134.88 178.52 6.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 2.71 110.276 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 344' ' ' VAL . . . . . 0.59 HG12 ' HB3' ' A' ' 337' ' ' GLU . 15.3 m -142.94 167.59 14.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 2.95 109.282 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 345' ' ' PHE . . . . . 0.648 ' C ' HD22 ' A' ' 346' ' ' LEU . 77.9 m-85 -152.36 138.59 18.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 3.22 111.011 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.742 HD23 HD13 ' A' ' 355' ' ' ILE . 2.2 mm? -124.14 122.13 37.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 1.78 109.397 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 347' ' ' PHE . . . . . 0.452 ' CD2' HD13 ' A' ' 380' ' ' ILE . 11.2 m-30 -95.84 143.74 26.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 3.15 111.029 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 348' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 351' ' ' LYS . 45.7 tptt -165.04 114.46 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 3.55 109.267 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.5 t70 58.81 -150.63 0.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 3.28 109.258 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 350' ' ' ASP . . . . . 0.446 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 1.4 p-10 -87.65 40.56 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 2.81 109.306 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 4.2 mtmp? -156.57 148.54 22.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 2.16 109.287 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 352' ' ' TYR . . . . . 0.6 ' CD1' HG23 ' A' ' 368' ' ' ILE . 32.5 p90 -145.42 132.19 20.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 2.54 111.003 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 353' ' ' TRP . . . . . 0.517 ' CZ3' ' O ' ' A' ' 361' ' ' GLU . 11.1 m95 -89.87 174.0 7.93 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.99 -1.115 . . . . 6.0 107.99 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 354' ' ' LEU . . . . . 0.516 HD13 ' CE1' ' A' ' 345' ' ' PHE . 1.7 tp -135.41 114.58 12.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 1.78 109.326 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.742 HD13 HD23 ' A' ' 346' ' ' LEU . 1.9 mp -104.3 118.16 51.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 1.53 109.32 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 356' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 358' ' ' LEU . 90.7 p -101.55 101.39 11.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 2.39 110.005 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 69.49 -62.38 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.08 . . . . 4.15 109.337 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 358' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 356' ' ' SER . 1.8 tp -172.11 73.32 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 4.41 109.282 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 175.16 106.54 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 4.15 110.31 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 360' ' ' PRO . . . . . 0.465 ' CG ' ' HG2' ' A' ' 326' ' ' PRO . 18.0 Cg_endo -75.06 117.78 5.02 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.502 1.791 . . . . 1.9 110.98 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 361' ' ' GLU . . . . . 0.517 ' O ' ' CZ3' ' A' ' 353' ' ' TRP . 3.5 mm-40 -40.62 123.94 1.85 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 2.18 110.3 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 129.46 12.36 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.594 1.839 . . . . 1.78 111.004 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 363' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 61.02 62.81 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 3.69 109.261 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 364' ' ' TYR . . . . . 0.576 ' CD1' ' HE3' ' A' ' 366' ' ' LYS . 0.5 OUTLIER -136.08 55.56 12.25 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 3.03 111.002 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 365' ' ' PRO . . . . . 0.565 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -74.94 51.72 2.84 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 1.24 111.001 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 366' ' ' LYS . . . . . 0.576 ' HE3' ' CD1' ' A' ' 364' ' ' TYR . 0.1 OUTLIER -54.79 156.96 3.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 1.65 109.302 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 367' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 370' ' ' SER . 0.7 OUTLIER -119.95 118.41 30.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 2.51 110.016 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 368' ' ' ILE . . . . . 0.6 HG23 ' CD1' ' A' ' 352' ' ' TYR . 1.2 pt -51.25 -37.99 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 1.9 109.324 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -15.13 51.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 4.61 109.584 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 370' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 367' ' ' SER . 17.7 t -64.54 -10.46 26.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 2.43 109.982 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 371' ' ' PHE . . . . . 0.525 ' O ' ' CD2' ' A' ' 371' ' ' PHE . 5.0 p90 -152.03 29.53 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 7.7 111.012 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 372' ' ' GLY . . . . . 0.526 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -142.44 -49.11 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.136 . . . . 3.11 110.967 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 373' ' ' PHE . . . . . 0.643 ' O ' ' CD2' ' A' ' 373' ' ' PHE . 17.6 p90 27.33 59.27 0.56 Allowed Pre-proline 0 C--N 1.323 -0.557 0 O-C-N 124.474 0.749 . . . . 9.64 110.973 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 374' ' ' PRO . . . . . 0.54 ' HB2' ' CZ2' ' A' ' 401' ' ' TRP . 18.5 Cg_endo -74.97 -4.61 15.66 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.526 1.803 . . . . 3.6 111.039 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 64.18 30.57 13.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 5.38 109.248 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 2.6 t80 178.61 50.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 5.91 111.027 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 377' ' ' VAL . . . . . 0.409 HG21 HD12 ' A' ' 368' ' ' ILE . 0.4 OUTLIER -104.23 161.18 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 3.21 109.299 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.54 -39.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 3.83 109.326 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -162.7 136.54 6.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 3.51 109.292 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 380' ' ' ILE . . . . . 0.655 ' HA ' HG22 ' A' ' 396' ' ' VAL . 6.4 mt -93.73 149.46 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 1.28 109.274 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 381' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 429' ' ' ILE . 0.8 OUTLIER -89.12 -50.78 5.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 2.18 109.336 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 382' ' ' ALA . . . . . 0.679 ' HB1' HG12 ' A' ' 432' ' ' VAL . . . -155.4 166.39 33.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.588 1.18 . . . . 0.93 109.223 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -156.67 120.98 4.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.79 109.302 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 384' ' ' VAL . . . . . 0.716 ' O ' HG23 ' A' ' 392' ' ' THR . 2.1 t -128.24 145.39 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 2.45 109.236 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 385' ' ' PHE . . . . . 0.843 ' HB3' HD11 ' A' ' 338' ' ' ILE . 0.1 OUTLIER -104.4 127.97 52.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 5.0 111.029 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -115.0 104.72 53.81 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 2.39 109.321 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -12.06 21.36 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.465 1.771 . . . . 2.96 111.016 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.22 -30.61 34.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 2.81 110.289 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -117.36 14.03 14.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 3.31 111.011 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 390' ' ' TYR . . . . . 0.52 ' O ' ' CB ' ' A' ' 405' ' ' GLU . 28.1 m-85 38.84 45.97 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 3.28 110.978 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 391' ' ' ARG . . . . . 0.502 ' CG ' ' N ' ' A' ' 392' ' ' THR . 17.8 ttt-85 -149.16 159.06 44.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 8.91 110.307 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 392' ' ' THR . . . . . 0.716 HG23 ' O ' ' A' ' 384' ' ' VAL . 7.1 m -119.55 129.72 54.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.71 110.393 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 393' ' ' TYR . . . . . 0.447 ' HB3' ' CE1' ' A' ' 395' ' ' PHE . 70.9 m-85 -79.28 100.56 7.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 1.72 110.999 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -91.21 101.33 14.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 2.14 111.01 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 395' ' ' PHE . . . . . 0.447 ' CE1' ' HB3' ' A' ' 393' ' ' TYR . 94.3 m-85 -90.1 117.73 29.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 1.4 110.985 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 396' ' ' VAL . . . . . 0.684 HG21 ' CZ3' ' A' ' 401' ' ' TRP . 51.0 t -137.16 128.84 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 1.99 109.244 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 56.15 -149.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 3.15 109.346 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -88.2 40.0 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 2.94 109.327 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 399' ' ' GLN . . . . . 0.751 ' O ' HD11 ' A' ' 418' ' ' ILE . 54.9 mt-30 -150.23 176.65 10.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 2.13 110.297 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 400' ' ' TYR . . . . . 0.614 ' CD1' ' O ' ' A' ' 400' ' ' TYR . 16.5 p90 -136.27 129.13 31.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 6.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 401' ' ' TRP . . . . . 0.684 ' CZ3' HG21 ' A' ' 396' ' ' VAL . 15.8 m0 -91.64 170.38 9.97 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.04 -1.096 . . . . 5.88 108.04 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.05 99.58 3.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 4.3 110.294 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 403' ' ' TYR . . . . . 0.428 ' O ' ' CG ' ' A' ' 403' ' ' TYR . 14.1 t80 -102.27 85.17 2.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 5.47 111.069 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -49.84 136.95 17.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 2.78 109.359 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 405' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 390' ' ' TYR . 0.5 OUTLIER -101.67 -40.69 6.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 4.01 110.329 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 406' ' ' ARG . . . . . 0.459 ' HB3' ' CB ' ' A' ' 390' ' ' TYR . 1.7 ppt_? -56.75 -36.25 69.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 8.7 110.305 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 407' ' ' ARG . . . . . 0.462 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.0 OUTLIER -100.08 -38.47 8.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 2.57 110.271 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 408' ' ' GLN . . . . . 0.462 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 2.9 tt0 83.5 22.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 2.91 110.31 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.84 124.09 44.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 3.13 110.959 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.86 138.29 36.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 3.04 111.007 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.86 138.69 78.3 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 3.54 109.264 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 111.59 3.36 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.476 1.777 . . . . 3.01 111.015 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 40.14 93.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 3.32 111.078 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 414' ' ' TYR . . . . . 0.431 ' CE1' ' HG3' ' A' ' 416' ' ' LYS . 1.6 t80 -132.81 62.16 60.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 4.33 111.034 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 415' ' ' PRO . . . . . 0.501 ' CB ' ' OE1' ' A' ' 399' ' ' GLN . 18.4 Cg_endo -74.97 85.8 1.48 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.481 1.779 . . . . 3.29 110.994 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 416' ' ' LYS . . . . . 0.575 ' HB2' ' CE2' ' A' ' 400' ' ' TYR . 41.4 mmtt -101.14 -170.91 1.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 4.21 109.353 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.11 138.94 51.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 2.35 109.253 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 418' ' ' ILE . . . . . 0.751 HD11 ' O ' ' A' ' 399' ' ' GLN . 5.0 mt -69.16 -67.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 1.02 109.327 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 5.3 t -39.64 -31.56 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.414 1.071 . . . . 1.29 110.34 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 420' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 418' ' ' ILE . 10.6 mttt -69.58 -60.04 2.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 2.97 109.279 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -58.07 -48.84 78.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 3.6 109.334 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 422' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -120.92 103.36 9.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.524 1.14 . . . . 2.44 111.018 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.38 99.26 12.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.177 . . . . 1.99 110.343 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 163.82 -38.34 0.32 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 1.42 111.015 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 425' ' ' ILE . . . . . 0.674 HG22 ' CZ ' ' A' ' 442' ' ' PHE . 6.7 pt -82.83 -54.0 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.408 0.711 . . . . 2.56 109.291 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 128.65 168.05 12.32 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.12 . . . . 1.32 111.02 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -10.16 21.12 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.533 1.807 . . . . 1.44 111.05 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -125.43 133.74 52.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 3.23 109.245 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 429' ' ' ILE . . . . . 0.598 HD11 ' HB ' ' A' ' 425' ' ' ILE . 6.1 mm -138.34 119.04 16.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.523 1.14 . . . . 2.5 109.292 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.28 -49.91 73.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.433 1.083 . . . . 2.84 109.317 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 431' ' ' ALA . . . . . 0.742 ' HB1' HG22 ' A' ' 291' ' ' VAL . . . -169.57 158.31 7.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 1.45 109.288 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.679 HG12 ' HB1' ' A' ' 382' ' ' ALA . 3.8 p -159.02 153.69 5.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 2.22 109.318 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 433' ' ' PHE . . . . . 0.535 ' HD2' HG23 ' A' ' 291' ' ' VAL . 7.9 p90 -153.27 174.6 14.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 3.23 111.04 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -103.42 134.96 45.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 4.24 110.988 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 435' ' ' SER . . . . . 0.633 ' CB ' HG21 ' A' ' 293' ' ' THR . 4.9 p -156.06 148.69 23.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 3.22 110.0 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 436' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 435' ' ' SER . 0.6 OUTLIER 82.78 -128.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 4.87 109.326 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -102.98 -49.43 3.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 5.02 109.28 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.87 34.3 0.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 4.38 109.336 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 439' ' ' TYR . . . . . 0.401 ' CD2' ' OD1' ' A' ' 452' ' ' ASP . 56.0 m-85 -100.26 132.16 45.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.599 1.187 . . . . 3.85 111.04 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -110.78 113.62 26.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.475 1.109 . . . . 3.35 110.969 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 441' ' ' TYR . . . . . 0.455 ' HB2' ' CE1' ' A' ' 433' ' ' PHE . 8.7 m-85 -102.14 85.51 2.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 3.12 110.964 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 442' ' ' PHE . . . . . 0.674 ' CZ ' HG22 ' A' ' 425' ' ' ILE . 40.4 p90 -104.15 165.41 11.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 5.64 110.975 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 443' ' ' PHE . . . . . 0.554 ' CE2' ' CG ' ' A' ' 448' ' ' GLN . 39.1 m-85 -127.64 121.64 31.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 4.72 110.962 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -113.61 78.47 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 3.41 110.297 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 88.44 -130.84 10.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.115 . . . . 2.29 110.982 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 10.8 p -95.42 36.51 1.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.769 . . . . 1.99 109.965 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 447' ' ' ASN . . . . . 0.447 ' N ' ' ND2' ' A' ' 447' ' ' ASN . 0.1 OUTLIER -143.78 136.48 27.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.135 . . . . 2.34 109.259 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 448' ' ' GLN . . . . . 0.554 ' CG ' ' CE2' ' A' ' 443' ' ' PHE . 0.8 OUTLIER -105.87 95.0 5.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 2.84 110.308 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 449' ' ' PHE . . . . . 0.633 ' CE2' ' CG2' ' A' ' 461' ' ' THR . 38.0 m-85 -95.39 143.51 26.68 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.436 1.085 . . . . 2.51 111.029 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 0.505 ' O ' HG23 ' A' ' 458' ' ' ILE . 5.3 tm-20 -120.1 123.62 43.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.543 1.152 . . . . 4.32 110.259 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 451' ' ' TYR . . . . . 0.401 ' CD1' HG23 ' A' ' 425' ' ' ILE . 2.8 t80 -100.9 160.12 14.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 2.87 111.033 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 452' ' ' ASP . . . . . 0.401 ' OD1' ' CD2' ' A' ' 439' ' ' TYR . 43.2 m-20 -152.5 155.01 36.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 4.8 109.275 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 453' ' ' PHE . . . . . 0.542 ' O ' ' CD1' ' A' ' 453' ' ' PHE . 39.0 t80 -83.71 -0.69 51.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 4.19 110.959 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 40.2 tp -43.65 -55.34 4.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.395 1.06 . . . . 3.27 109.296 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -148.74 22.06 1.01 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.089 . . . . 2.7 109.224 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 63.26 42.56 6.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 3.51 110.239 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -143.92 158.55 43.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 4.38 110.319 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 458' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 450' ' ' GLU . 3.6 mt -79.49 142.92 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 2.38 109.326 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 41.9 p -96.61 -54.43 3.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 4.02 110.386 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.62 154.3 26.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 4.47 109.267 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 461' ' ' THR . . . . . 0.633 ' CG2' ' CE2' ' A' ' 449' ' ' PHE . 2.3 m -153.46 95.35 1.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 2.8 110.391 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -118.29 179.43 4.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 2.39 109.25 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -93.89 166.23 12.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 3.03 109.33 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 98.5 p -64.14 -51.29 64.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 2.49 110.031 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 465' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 470' ' ' CYS . 75.0 m-20 -90.74 50.11 1.76 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 3.64 109.264 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 44.1 t -116.77 -4.17 11.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 3.65 109.977 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -113.92 -59.5 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 5.16 108.064 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 468' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 470' ' ' CYS . 0.3 OUTLIER -38.55 -35.75 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.572 1.17 . . . . 7.11 111.031 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 111.89 39.73 1.26 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.54 1.15 . . . . 2.78 111.04 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 470' ' ' CYS . . . . . 0.567 ' HB2' ' CD1' ' A' ' 468' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 N-CA-C 108.274 -1.01 . . . . 5.06 108.274 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 277' ' ' MET . . . . . . . . . . . . . 25.0 mtt . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.514 0.197 . . . . 14.16 110.989 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -90.43 153.83 46.28 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 8.99 110.294 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 279' ' ' PRO . . . . . 0.73 ' HA ' HD12 ' A' ' 286' ' ' LEU . 18.0 Cg_endo -75.02 -0.34 9.85 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.472 1.775 . . . . 4.47 110.982 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 280' ' ' ALA . . . . . . . . . . . . . . . -41.3 106.59 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 3.6 109.295 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 281' ' ' LEU . . . . . 0.807 HD13 ' CE2' ' A' ' 468' ' ' PHE . 1.3 mt -78.22 -37.91 44.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 3.76 109.262 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 282' ' ' CYS . . . . . 1.283 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 83.3 m -84.16 52.75 2.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 3.77 108.252 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -179.04 119.54 0.23 Allowed Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 4.66 109.316 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 91.39 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.5 1.789 . . . . 2.63 111.0 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 177.68 42.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 3.77 109.321 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 286' ' ' LEU . . . . . 0.73 HD12 ' HA ' ' A' ' 279' ' ' PRO . 1.0 OUTLIER -112.17 151.44 29.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 3.3 109.355 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 22.7 p -145.28 160.14 41.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 1.75 110.046 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 288' ' ' PHE . . . . . 0.426 ' CZ ' HD21 ' A' ' 286' ' ' LEU . 20.0 m-85 -122.72 176.25 6.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 2.07 110.984 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.27 -56.1 2.18 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.495 1.122 . . . . 2.29 109.307 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -146.08 159.43 43.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.81 109.278 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 291' ' ' VAL . . . . . . . . . . . . . 87.0 t -150.3 136.98 12.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 2.2 109.302 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 292' ' ' THR . . . . . 0.525 ' HB ' ' HB1' ' A' ' 335' ' ' ALA . 11.4 t -127.63 179.04 5.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.35 110.339 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 12.2 p -140.37 141.48 35.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 2.84 110.421 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 59.4 t -136.05 124.67 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 1.84 109.253 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 56.13 -93.2 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.528 1.143 . . . . 2.14 111.041 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 -139.03 28.85 2.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.444 0.732 . . . . 3.88 109.312 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.532 ' HA ' HG21 ' A' ' 310' ' ' VAL . 20.8 mtmt -124.43 154.71 40.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 2.35 109.303 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 298' ' ' ILE . . . . . 0.732 ' H ' HG11 ' A' ' 310' ' ' VAL . 6.6 pt -122.97 121.69 63.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 2.01 109.24 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 299' ' ' PHE . . . . . 0.616 ' CE2' HD21 ' A' ' 308' ' ' LEU . 16.1 m-85 -110.54 134.52 52.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 2.8 111.029 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 300' ' ' PHE . . . . . 0.586 ' CZ ' HD12 ' A' ' 298' ' ' ILE . 65.5 m-85 -111.88 134.69 53.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 2.52 111.019 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 301' ' ' PHE . . . . . 0.633 ' CE2' HD13 ' A' ' 332' ' ' ILE . 9.7 m-85 -99.13 138.11 36.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.174 . . . . 2.35 110.956 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 302' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 305' ' ' PHE . 0.6 OUTLIER -135.87 94.53 3.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 2.87 109.275 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 55.69 -91.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 3.62 109.299 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 304' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 302' ' ' LYS . 0.0 OUTLIER -116.27 -18.51 10.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 5.07 110.308 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 305' ' ' PHE . . . . . 0.45 ' O ' ' N ' ' A' ' 302' ' ' LYS . 96.7 m-85 -100.07 148.31 24.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 2.71 111.003 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 306' ' ' PHE . . . . . 0.53 ' CD1' ' C ' ' A' ' 306' ' ' PHE . 3.7 p90 -116.26 158.58 23.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 1.84 110.981 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 307' ' ' TRP . . . . . 0.538 ' CZ3' HD11 ' A' ' 286' ' ' LEU . 0.0 OUTLIER -110.54 162.9 14.25 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.979 -1.119 . . . . 4.41 107.979 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.616 HD21 ' CE2' ' A' ' 299' ' ' PHE . 0.2 OUTLIER -154.87 116.92 4.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 1.65 109.294 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 309' ' ' LYS . . . . . 0.446 ' CB ' HG22 ' A' ' 316' ' ' THR . 0.0 OUTLIER -168.25 89.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 2.58 109.246 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 310' ' ' VAL . . . . . 0.732 HG11 ' H ' ' A' ' 298' ' ' ILE . 4.2 p -160.54 167.27 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 2.17 109.288 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 311' ' ' SER . . . . . 0.533 ' N ' HG22 ' A' ' 310' ' ' VAL . 28.6 t 64.31 -85.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.384 1.053 . . . . 3.82 110.039 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -131.71 71.17 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 4.6 110.31 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 313' ' ' ARG . . . . . 0.403 ' CB ' ' HA ' ' A' ' 309' ' ' LYS . 1.7 mpt_? -139.68 106.11 6.98 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 4.38 110.295 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -24.63 12.48 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.485 1.781 . . . . 2.81 111.03 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.08 158.42 44.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 4.83 109.265 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 316' ' ' THR . . . . . 0.446 HG22 ' CB ' ' A' ' 309' ' ' LYS . 7.8 p -93.98 167.3 11.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 1.24 110.461 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 74.3 m -140.98 126.0 18.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 2.43 109.959 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 98.4 t -93.94 106.46 18.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 2.38 109.324 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 319' ' ' ASN . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 306' ' ' PHE . 1.4 m120 -121.84 166.87 13.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 1.98 109.26 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.11 144.6 28.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 2.01 109.315 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 321' ' ' ILE . . . . . 0.403 ' C ' ' N ' ' A' ' 323' ' ' SER . 33.0 mt -69.22 -66.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 1.13 109.298 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 49.0 m -41.3 -28.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 2.17 109.972 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 323' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 321' ' ' ILE . 0.6 OUTLIER -48.71 -39.36 24.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 2.58 110.031 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.08 -74.0 0.67 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 1.88 109.281 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 325' ' ' TRP . . . . . 0.402 ' HB3' ' CB ' ' A' ' 328' ' ' LEU . 0.0 OUTLIER -56.86 112.19 4.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 1.77 108.029 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -83.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.599 1.842 . . . . 1.57 111.061 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 327' ' ' THR . . . . . 0.63 ' O ' HG22 ' A' ' 327' ' ' THR . 2.9 m -70.12 61.67 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 3.11 110.349 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.87 HD13 ' HD2' ' A' ' 329' ' ' PRO . 0.3 OUTLIER -141.44 130.38 12.44 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 2.45 109.284 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 329' ' ' PRO . . . . . 0.87 ' HD2' HD13 ' A' ' 328' ' ' LEU . 18.4 Cg_endo -74.95 172.12 16.98 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.521 1.801 . . . . 2.02 111.077 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.02 150.2 32.3 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.543 1.152 . . . . 2.36 110.054 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 85.5 42.48 6.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 1.45 110.97 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.633 HD13 ' CE2' ' A' ' 301' ' ' PHE . 10.6 mt -49.83 137.57 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.489 0.758 . . . . 1.63 109.295 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.14 -52.1 5.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 3.71 110.365 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -143.76 129.02 18.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.78 109.314 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 335' ' ' ALA . . . . . 0.525 ' HB1' ' HB ' ' A' ' 292' ' ' THR . . . -117.31 126.11 52.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.85 109.277 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 336' ' ' TYR . . . . . 0.517 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 10.5 p90 -151.75 126.54 9.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 3.3 110.979 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -89.37 175.16 7.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 5.14 110.293 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 338' ' ' ILE . . . . . 0.569 ' O ' HG23 ' A' ' 338' ' ' ILE . 0.5 OUTLIER -133.15 96.31 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 3.19 109.284 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -70.75 75.83 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.588 1.18 . . . . 3.74 110.29 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -155.58 -58.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 1.75 109.313 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -109.24 8.02 25.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 5.73 110.324 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 47.0 t30 59.4 66.35 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 2.11 109.253 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 343' ' ' GLN . . . . . 0.419 ' CG ' ' O ' ' A' ' 355' ' ' ILE . 0.0 OUTLIER -128.81 179.73 5.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 2.42 110.253 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 344' ' ' VAL . . . . . 0.462 ' HB ' ' CG2' ' A' ' 355' ' ' ILE . 3.2 t -149.71 150.71 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.39 109.316 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 345' ' ' PHE . . . . . 0.517 ' C ' HD22 ' A' ' 346' ' ' LEU . 35.4 m-85 -134.21 133.32 40.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 2.55 111.011 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 0.517 HD22 ' C ' ' A' ' 345' ' ' PHE . 3.8 mm? -123.72 119.86 31.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 1.4 109.277 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -96.1 140.17 31.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 2.7 110.97 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 348' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.82 119.32 2.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 3.09 109.304 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 4.7 t0 57.23 -150.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 3.44 109.36 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 350' ' ' ASP . . . . . 0.553 ' OD1' HD11 ' A' ' 368' ' ' ILE . 2.0 t0 -87.91 42.17 1.04 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 3.22 109.294 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.482 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 34.8 mtmt -155.99 154.79 31.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 1.74 109.253 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 352' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 366' ' ' LYS . 39.9 p90 -142.12 147.13 36.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 2.74 110.995 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 353' ' ' TRP . . . . . 0.558 ' CZ3' ' HG3' ' A' ' 329' ' ' PRO . 3.3 m-90 -104.63 163.39 12.52 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.001 -1.111 . . . . 3.98 108.001 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 354' ' ' LEU . . . . . 0.49 HD23 ' HG3' ' A' ' 361' ' ' GLU . 0.3 OUTLIER -125.68 103.96 8.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 2.75 109.298 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.539 ' CD1' ' N ' ' A' ' 355' ' ' ILE . 1.2 mp -72.88 122.86 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 1.69 109.28 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 42.2 t -132.62 118.76 19.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 1.46 110.054 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 60.06 47.59 9.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.531 1.144 . . . . 3.49 109.258 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 56.59 43.24 25.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 4.65 109.317 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -162.73 120.19 1.28 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 5.45 110.324 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 360' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 361' ' ' GLU . 18.3 Cg_endo -74.94 117.8 5.05 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.553 1.818 . . . . 1.99 111.031 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 361' ' ' GLU . . . . . 0.49 ' HG3' HD23 ' A' ' 354' ' ' LEU . 5.0 mm-40 -36.41 124.74 0.74 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 2.85 110.298 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 136.5 20.59 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.57 1.826 . . . . 2.66 111.0 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 363' ' ' ASN . . . . . 0.438 ' C ' ' HD3' ' A' ' 365' ' ' PRO . 3.1 t-20 63.45 61.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 3.45 109.242 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 364' ' ' TYR . . . . . 0.524 ' N ' ' HD3' ' A' ' 365' ' ' PRO . 0.2 OUTLIER -132.34 57.9 32.71 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 3.61 111.049 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 365' ' ' PRO . . . . . 0.524 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.4 Cg_endo -74.94 53.06 3.2 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.599 1.841 . . . . 1.31 110.986 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 366' ' ' LYS . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 352' ' ' TYR . 0.0 OUTLIER -65.83 160.85 22.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 3.05 109.333 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 29.3 t -135.5 130.92 35.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 2.31 110.0 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 368' ' ' ILE . . . . . 0.553 HD11 ' OD1' ' A' ' 350' ' ' ASP . 3.2 pt -41.87 -42.82 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 1.78 109.245 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 369' ' ' HIS . . . . . 0.4 ' C ' ' N ' ' A' ' 371' ' ' PHE . 23.7 t60 -40.25 -29.82 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 3.8 109.608 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 370' ' ' SER . . . . . 0.56 ' O ' ' CG ' ' A' ' 371' ' ' PHE . 50.6 m -47.85 -23.36 0.73 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.443 1.09 . . . . 2.77 109.995 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 371' ' ' PHE . . . . . 0.56 ' CG ' ' O ' ' A' ' 370' ' ' SER . 0.3 OUTLIER 164.68 71.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 6.79 110.979 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 372' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 374' ' ' PRO . . . -174.35 -66.26 0.05 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.533 1.146 . . . . 3.03 110.977 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 373' ' ' PHE . . . . . 0.653 ' HA ' HG12 ' A' ' 377' ' ' VAL . 59.8 t80 -34.23 96.3 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.423 0.72 . . . . 5.63 111.03 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 374' ' ' PRO . . . . . 0.544 ' HG2' ' CH2' ' A' ' 401' ' ' TRP . 18.2 Cg_endo -75.06 -76.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.506 1.793 . . . . 2.29 110.964 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -96.8 -78.8 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 4.9 109.278 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 376' ' ' PHE . . . . . 0.558 ' HA ' ' CZ ' ' A' ' 373' ' ' PHE . 14.2 m-85 -144.7 58.33 1.31 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 6.55 110.996 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 377' ' ' VAL . . . . . 0.653 HG12 ' HA ' ' A' ' 373' ' ' PHE . 0.8 OUTLIER -88.96 162.28 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 2.01 109.298 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.75 -38.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.601 1.188 . . . . 3.5 109.325 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -118.08 116.01 26.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 2.6 109.26 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 380' ' ' ILE . . . . . 0.443 ' CG2' ' N ' ' A' ' 381' ' ' ASP . 83.0 mt -101.76 163.01 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 1.44 109.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 381' ' ' ASP . . . . . 0.728 ' O ' 'CA ' ' A' ' 471' ' ' ' CA' . 0.7 OUTLIER -92.45 -51.81 4.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 1.86 109.254 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 382' ' ' ALA . . . . . 1.026 ' HB1' HG12 ' A' ' 432' ' ' VAL . . . -159.85 168.09 26.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.62 1.2 . . . . 0.62 109.263 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -156.92 130.32 8.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.79 109.295 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 384' ' ' VAL . . . . . 0.426 HG13 ' CE2' ' A' ' 393' ' ' TYR . 4.0 p -136.29 158.89 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 2.08 109.31 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 385' ' ' PHE . . . . . 0.457 ' C ' ' CD1' ' A' ' 385' ' ' PHE . 2.1 t80 -118.67 127.92 54.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 1.97 110.968 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 386' ' ' ASN . . . . . 0.44 ' HB3' ' CB ' ' A' ' 389' ' ' PHE . 0.2 OUTLIER -91.63 122.63 65.39 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 2.14 109.269 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -30.21 7.39 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.503 1.791 . . . . 1.62 111.018 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 1.8 tpt85 -91.7 28.36 1.79 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 3.28 110.28 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 389' ' ' PHE . . . . . 0.557 ' C ' ' CG ' ' A' ' 390' ' ' TYR . 0.8 OUTLIER -151.3 -38.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 3.39 111.026 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 390' ' ' TYR . . . . . 0.557 ' CG ' ' C ' ' A' ' 389' ' ' PHE . 4.4 m-85 74.08 31.93 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 2.7 110.972 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 391' ' ' ARG . . . . . 0.409 ' HD2' ' CD ' ' A' ' 402' ' ' ARG . 18.1 mtt180 -136.88 146.75 45.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 3.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 392' ' ' THR . . . . . 0.525 HG22 ' HE1' ' A' ' 394' ' ' PHE . 27.1 m -117.99 126.7 52.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 1.15 110.397 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 393' ' ' TYR . . . . . 0.458 ' C ' ' CD1' ' A' ' 394' ' ' PHE . 1.0 OUTLIER -119.96 157.14 29.43 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.533 1.145 . . . . 3.8 110.963 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 394' ' ' PHE . . . . . 0.525 ' HE1' HG22 ' A' ' 392' ' ' THR . 1.0 OUTLIER -134.19 170.01 16.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 2.31 111.01 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -120.01 129.71 54.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 1.81 111.03 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 396' ' ' VAL . . . . . 0.418 ' O ' ' CB ' ' A' ' 397' ' ' ASP . 10.2 t -114.62 74.2 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 1.92 109.318 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 397' ' ' ASP . . . . . 0.418 ' CB ' ' O ' ' A' ' 396' ' ' VAL . 0.8 OUTLIER 75.96 -65.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 4.99 109.289 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 398' ' ' ASN . . . . . 0.413 HD21 HD11 ' A' ' 417' ' ' LEU . 28.7 t-20 -151.43 50.78 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 3.42 109.331 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -140.5 148.47 41.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 2.32 110.339 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 400' ' ' TYR . . . . . 0.45 ' C ' ' CD1' ' A' ' 400' ' ' TYR . 1.1 t80 -119.3 101.36 7.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 2.59 111.014 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 401' ' ' TRP . . . . . 0.544 ' CH2' ' HG2' ' A' ' 374' ' ' PRO . 46.8 m0 -98.64 164.67 12.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 4.66 108.025 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 402' ' ' ARG . . . . . 0.409 ' CD ' ' HD2' ' A' ' 391' ' ' ARG . 0.0 OUTLIER -153.59 111.83 3.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 3.0 110.253 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 403' ' ' TYR . . . . . 0.48 ' CD2' ' HB3' ' A' ' 410' ' ' MET . 4.4 t80 -100.19 121.28 41.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 5.2 110.977 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.78 124.97 24.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 2.14 109.304 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -89.24 -47.42 8.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 3.08 110.334 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -55.0 35.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 6.07 110.264 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 407' ' ' ARG . . . . . 0.451 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.0 OUTLIER -67.7 -41.92 82.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 3.23 110.26 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 408' ' ' GLN . . . . . 0.451 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 0.0 OUTLIER 83.09 29.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 3.2 110.297 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 3.1 tpt -135.95 109.03 7.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 2.19 111.034 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 410' ' ' MET . . . . . 0.48 ' HB3' ' CD2' ' A' ' 403' ' ' TYR . 0.0 OUTLIER -64.21 146.04 54.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 2.03 111.012 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.64 160.55 72.21 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 2.58 109.28 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 85.62 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.544 1.812 . . . . 2.86 110.923 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 72.47 -73.13 0.95 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.448 1.092 . . . . 4.84 111.049 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 414' ' ' TYR . . . . . 0.532 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 2.7 t80 61.16 63.45 2.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 1.96 110.994 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 415' ' ' PRO . . . . . 0.409 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.5 Cg_endo -74.94 66.84 5.96 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.529 1.805 . . . . 1.66 111.067 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 416' ' ' LYS . . . . . 0.532 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 24.9 mmtt -86.22 -176.35 5.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 2.41 109.309 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 417' ' ' LEU . . . . . 0.539 HD12 HG22 ' A' ' 419' ' ' THR . 0.4 OUTLIER -126.76 136.23 52.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 2.83 109.266 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.792 HG22 HD11 ' A' ' 425' ' ' ILE . 3.8 mt -69.49 -71.35 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 1.31 109.294 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 419' ' ' THR . . . . . 0.539 HG22 HD12 ' A' ' 417' ' ' LEU . 15.0 t -38.07 -29.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.1 110.395 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 420' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 418' ' ' ILE . 26.1 mttt -69.22 -69.47 0.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 1.57 109.263 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -48.29 -51.0 27.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 2.62 109.239 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 422' ' ' PHE . . . . . 0.486 ' CE2' ' CD1' ' A' ' 451' ' ' TYR . 2.6 m-85 -119.16 102.54 8.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.45 1.094 . . . . 3.35 110.982 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -89.92 112.92 24.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 2.17 110.34 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 150.49 -31.06 1.04 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.574 1.172 . . . . 1.39 110.958 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 425' ' ' ILE . . . . . 0.792 HD11 HG22 ' A' ' 418' ' ' ILE . 8.4 pt -82.64 -55.57 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 2.09 109.241 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 426' ' ' GLY . . . . . 0.436 ' N ' ' CG1' ' A' ' 425' ' ' ILE . . . 132.37 167.46 11.8 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.548 1.155 . . . . 1.01 111.0 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 427' ' ' PRO . . . . . 0.405 ' CA ' ' HB ' ' A' ' 419' ' ' THR . 18.2 Cg_endo -74.98 -16.65 20.14 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.454 1.765 . . . . 1.27 110.977 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.807 ' C ' HD12 ' A' ' 429' ' ' ILE . 0.0 OUTLIER -121.53 131.15 53.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 4.86 109.286 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 429' ' ' ILE . . . . . 0.807 HD12 ' C ' ' A' ' 428' ' ' LYS . 1.9 mp -130.86 125.39 58.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 2.93 109.307 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.65 -86.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 2.06 109.297 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -106.97 150.64 26.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 1.01 109.333 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 1.026 HG12 ' HB1' ' A' ' 382' ' ' ALA . 4.1 p -146.99 126.33 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 1.87 109.357 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 433' ' ' PHE . . . . . 0.461 ' CD1' ' N ' ' A' ' 433' ' ' PHE . 5.8 p90 -147.71 146.53 29.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 3.32 110.971 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.27 92.01 7.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 4.32 110.966 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 94.2 p -123.19 91.3 3.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 2.77 110.009 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 436' ' ' LYS . . . . . 0.408 ' CB ' ' HB2' ' A' ' 439' ' ' TYR . 0.0 OUTLIER 174.62 -160.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 4.04 109.363 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -103.95 -30.88 10.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 3.82 109.243 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.21 49.3 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 3.41 109.346 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 439' ' ' TYR . . . . . 0.476 ' CD1' ' OE2' ' A' ' 450' ' ' GLU . 68.7 m-85 -138.74 173.88 11.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 2.51 110.971 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -134.77 112.87 11.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 3.49 111.013 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 441' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -84.89 110.99 19.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 2.91 111.014 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 442' ' ' PHE . . . . . 0.702 ' CZ ' HG21 ' A' ' 432' ' ' VAL . 5.9 m-85 -121.33 146.92 46.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.608 1.193 . . . . 3.25 111.009 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 443' ' ' PHE . . . . . 0.584 ' CD1' ' C ' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -153.61 147.91 25.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 4.83 111.01 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -158.93 102.62 1.66 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.475 1.109 . . . . 3.73 110.265 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 109.12 -91.56 0.66 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.159 . . . . 1.8 110.939 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 17.7 t -151.57 33.08 0.56 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 0.783 . . . . 1.97 110.019 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -137.02 134.59 36.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 2.17 109.297 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 448' ' ' GLN . . . . . 0.489 ' O ' HD23 ' A' ' 462' ' ' LEU . 0.0 OUTLIER -107.91 88.12 2.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 2.93 110.295 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -87.87 143.62 27.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 2.34 111.005 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 0.931 ' O ' HG23 ' A' ' 458' ' ' ILE . 1.7 tt0 -121.31 134.17 55.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.374 1.046 . . . . 2.9 110.306 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 451' ' ' TYR . . . . . 0.486 ' CD1' ' CE2' ' A' ' 422' ' ' PHE . 1.5 t80 -105.69 143.75 33.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.581 1.175 . . . . 2.76 111.015 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -125.75 111.27 14.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 2.83 109.303 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 453' ' ' PHE . . . . . 0.409 ' O ' ' CD1' ' A' ' 453' ' ' PHE . 19.3 t80 -59.59 -15.69 20.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.411 1.069 . . . . 3.31 110.989 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 20.1 tp -42.57 -42.09 3.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 2.54 109.225 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -163.51 29.97 0.09 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 2.18 109.357 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 47.77 57.02 6.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 3.22 110.322 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.62 135.44 44.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.564 1.165 . . . . 4.49 110.273 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 458' ' ' ILE . . . . . 0.931 HG23 ' O ' ' A' ' 450' ' ' GLU . 24.1 mt -100.13 114.38 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 1.59 109.317 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 10.2 t -115.65 38.25 3.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 3.04 110.436 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -152.59 109.67 3.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.404 1.065 . . . . 4.12 109.353 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 24.2 m -126.04 85.61 2.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 2.18 110.396 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 462' ' ' LEU . . . . . 0.909 HD12 ' HB3' ' A' ' 466' ' ' SER . 0.9 OUTLIER -125.91 178.12 5.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 1.83 109.333 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.0 173.78 6.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 3.96 109.322 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -32.19 73.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.81 110.024 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -104.07 57.42 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 2.88 109.304 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 466' ' ' SER . . . . . 0.909 ' HB3' HD12 ' A' ' 462' ' ' LEU . 0.1 OUTLIER -116.55 -9.77 11.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.105 . . . . 2.95 110.001 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 17.2 m95 -103.31 -44.86 5.05 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.495 1.122 . . . . 3.94 108.04 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 468' ' ' PHE . . . . . 0.807 ' CE2' HD13 ' A' ' 281' ' ' LEU . 3.0 t80 -48.82 -47.35 42.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 6.93 111.015 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 120.95 55.53 0.23 Allowed Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.458 1.099 . . . . 2.2 111.064 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 470' ' ' CYS . . . . . 1.283 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 N-CA-C 108.332 -0.988 . . . . 3.84 108.332 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 471' ' ' ' CA' . . . . . 0.728 'CA ' ' O ' ' A' ' 381' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 277' ' ' MET . . . . . . . . . . . . . 10.6 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.51 0.195 . . . . 8.35 111.012 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 278' ' ' GLU . . . . . 0.425 ' N ' ' HD3' ' A' ' 279' ' ' PRO . 31.9 mt-10 53.16 63.32 8.55 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 6.71 110.248 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 279' ' ' PRO . . . . . 0.721 ' HB2' HD11 ' A' ' 286' ' ' LEU . 18.5 Cg_endo -74.99 128.68 11.69 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.496 1.787 . . . . 2.93 111.013 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 280' ' ' ALA . . . . . . . . . . . . . . . -48.28 96.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 3.41 109.295 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 281' ' ' LEU . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 468' ' ' PHE . 70.2 mt -63.45 -46.99 83.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 2.96 109.299 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 282' ' ' CYS . . . . . 1.288 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 3.1 t -79.46 57.64 2.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 3.4 108.289 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -176.21 109.33 0.25 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 3.47 109.33 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 78.09 2.98 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.482 1.78 . . . . 1.97 111.015 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -146.21 36.21 1.01 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 3.16 109.25 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 286' ' ' LEU . . . . . 0.721 HD11 ' HB2' ' A' ' 279' ' ' PRO . 0.2 OUTLIER -113.51 175.03 5.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 3.48 109.315 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 61.8 p -144.62 169.31 18.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 1.53 109.984 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -129.17 152.47 48.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 1.77 110.981 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.35 -52.55 4.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 2.51 109.283 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 290' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 332' ' ' ILE . . . -157.43 157.6 34.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.42 109.323 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 291' ' ' VAL . . . . . . . . . . . . . 93.3 t -136.95 143.64 34.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 2.35 109.329 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 292' ' ' THR . . . . . 0.403 ' HB ' ' HB3' ' A' ' 335' ' ' ALA . 12.0 t -145.11 154.32 42.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 1.15 110.405 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 4.7 t -111.0 146.74 36.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 2.31 110.42 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 90.9 t -139.41 72.41 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.98 109.302 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 98.0 -112.14 4.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 1.66 110.972 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -113.68 15.43 18.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.757 . . . . 3.19 109.279 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.57 ' HA ' HG21 ' A' ' 310' ' ' VAL . 41.5 mtmt -121.57 152.54 39.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 3.73 109.298 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 298' ' ' ILE . . . . . 0.676 ' H ' HG11 ' A' ' 310' ' ' VAL . 10.6 pt -129.83 125.59 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 2.04 109.287 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 299' ' ' PHE . . . . . 0.546 ' CD1' HD21 ' A' ' 308' ' ' LEU . 7.0 m-85 -106.47 148.75 27.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 3.07 111.026 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 300' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -125.86 97.03 4.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 2.81 111.028 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 301' ' ' PHE . . . . . 0.559 ' CE1' HG12 ' A' ' 321' ' ' ILE . 24.3 m-85 -84.18 156.6 21.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 2.81 111.035 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 302' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 305' ' ' PHE . 0.0 OUTLIER -161.6 70.33 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 3.68 109.264 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 3.5 t70 49.14 83.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 3.59 109.297 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 304' ' ' ARG . . . . . 0.423 ' HB3' ' CD1' ' A' ' 320' ' ' LEU . 2.8 mmt85 76.06 -54.23 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 6.72 110.317 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 305' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 302' ' ' LYS . 38.2 m-85 -79.94 120.33 24.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 4.47 110.989 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 306' ' ' PHE . . . . . 0.534 ' CZ ' ' HB2' ' A' ' 319' ' ' ASN . 5.4 p90 -133.94 144.84 49.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 2.04 110.986 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 307' ' ' TRP . . . . . 0.589 ' CZ2' HD22 ' A' ' 286' ' ' LEU . 16.9 m-90 -101.21 157.42 16.79 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.005 -1.109 . . . . 4.61 108.005 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.546 HD21 ' CD1' ' A' ' 299' ' ' PHE . 0.3 OUTLIER -141.51 129.37 21.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 2.3 109.248 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -165.01 98.26 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 2.18 109.254 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 310' ' ' VAL . . . . . 0.676 HG11 ' H ' ' A' ' 298' ' ' ILE . 8.2 p -173.31 167.59 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 2.24 109.332 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 311' ' ' SER . . . . . 0.522 ' N ' HG22 ' A' ' 310' ' ' VAL . 33.0 t 67.2 -75.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 4.14 109.975 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -165.52 77.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 5.49 110.319 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.94 134.33 21.8 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 3.8 110.327 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -35.87 2.92 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.461 1.769 . . . . 2.99 111.011 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.23 167.54 28.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 3.67 109.305 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 15.5 p -87.31 134.38 33.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 2.41 110.365 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 2.3 m -126.7 146.94 50.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 3.74 109.983 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 10.4 m -100.94 119.9 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 3.03 109.311 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 319' ' ' ASN . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 306' ' ' PHE . 1.8 m120 -132.86 179.79 5.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 2.16 109.327 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.423 ' CD1' ' HB3' ' A' ' 304' ' ' ARG . 12.1 tp -106.37 132.71 52.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 2.47 109.296 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 321' ' ' ILE . . . . . 0.559 HG12 ' CE1' ' A' ' 301' ' ' PHE . 3.6 mt -62.53 -63.31 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 2.32 109.296 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 322' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 321' ' ' ILE . 3.3 t -37.61 -33.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 2.24 110.045 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 323' ' ' SER . . . . . 0.413 ' N ' ' C ' ' A' ' 321' ' ' ILE . 8.4 t -43.74 -27.46 0.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 1.66 109.995 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 2.8 mp -115.12 -63.21 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 1.81 109.283 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 325' ' ' TRP . . . . . 0.635 ' HB3' HD23 ' A' ' 328' ' ' LEU . 0.5 OUTLIER -65.36 144.21 98.93 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 2.25 107.999 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 326' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 325' ' ' TRP . 18.3 Cg_endo -75.07 -90.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.481 1.779 . . . . 1.66 110.975 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 327' ' ' THR . . . . . 0.876 ' O ' HD22 ' A' ' 328' ' ' LEU . 12.0 t -85.02 86.56 7.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 2.47 110.441 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.876 HD22 ' O ' ' A' ' 327' ' ' THR . 4.2 mm? -134.8 155.91 78.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 1.4 109.272 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 329' ' ' PRO . . . . . 0.417 ' O ' ' CB ' ' A' ' 330' ' ' SER . 18.4 Cg_endo -74.99 -36.17 2.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.553 1.817 . . . . 2.37 111.03 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 330' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 329' ' ' PRO . 3.2 m 80.76 -0.05 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 5.03 109.973 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -116.12 -42.57 0.7 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.546 1.154 . . . . 3.92 110.988 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.659 ' CG2' ' HB2' ' A' ' 335' ' ' ALA . 4.1 mp 42.43 89.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 2.17 109.258 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -79.52 -13.89 59.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 2.66 110.326 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -168.97 115.84 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 1.02 109.322 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 335' ' ' ALA . . . . . 0.659 ' HB2' ' CG2' ' A' ' 332' ' ' ILE . . . -129.96 155.59 45.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 1.42 109.336 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 336' ' ' TYR . . . . . 0.745 ' CE2' HD11 ' A' ' 338' ' ' ILE . 22.5 p90 -155.34 114.81 3.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 3.13 110.991 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -98.02 142.77 29.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 3.98 110.276 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 338' ' ' ILE . . . . . 0.745 HD11 ' CE2' ' A' ' 336' ' ' TYR . 1.4 mp -128.29 130.08 69.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 3.76 109.318 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.57 -54.8 14.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 3.58 110.26 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -49.5 -58.79 4.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 2.32 109.323 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -59.37 -32.81 70.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 3.92 110.281 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 342' ' ' ASN . . . . . 0.408 ' C ' ' HG2' ' A' ' 343' ' ' GLN . 9.2 t30 59.8 35.15 22.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 2.99 109.321 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 343' ' ' GLN . . . . . 0.408 ' HG2' ' C ' ' A' ' 342' ' ' ASN . 0.1 OUTLIER -134.97 139.92 45.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 3.19 110.338 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 344' ' ' VAL . . . . . 0.477 HG12 HD21 ' A' ' 346' ' ' LEU . 10.6 t -100.65 139.56 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 1.75 109.316 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 345' ' ' PHE . . . . . 0.818 ' C ' HD22 ' A' ' 346' ' ' LEU . 84.3 m-85 -121.44 130.14 53.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 3.61 110.988 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 1.058 HD23 HD13 ' A' ' 355' ' ' ILE . 1.5 mm? -128.45 105.96 8.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 2.17 109.351 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -99.43 158.44 15.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 3.47 110.989 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 348' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -178.53 143.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 3.8 109.264 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 51.25 -154.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 4.97 109.295 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 350' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -91.62 41.84 1.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 3.89 109.322 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -148.67 148.2 29.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 2.13 109.308 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 352' ' ' TYR . . . . . 0.437 ' OH ' HG22 ' A' ' 368' ' ' ILE . 20.5 m-85 -110.52 164.0 13.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 6.67 110.986 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -155.97 125.75 6.42 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.042 -1.096 . . . . 6.07 108.042 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 354' ' ' LEU . . . . . 0.65 ' C ' HD12 ' A' ' 355' ' ' ILE . 0.8 OUTLIER -113.57 165.95 12.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 1.96 109.336 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 1.058 HD13 HD23 ' A' ' 346' ' ' LEU . 1.5 mp -129.52 118.8 46.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 2.19 109.316 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 16.6 t -124.63 132.25 53.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 2.51 109.975 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 357' ' ' ASN . . . . . 0.672 ' C ' HD23 ' A' ' 358' ' ' LEU . 43.6 m-20 58.79 48.09 11.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 4.32 109.309 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 358' ' ' LEU . . . . . 0.672 HD23 ' C ' ' A' ' 357' ' ' ASN . 0.6 OUTLIER 50.91 40.19 24.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 4.38 109.315 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -164.53 128.75 1.83 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 4.18 110.287 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 360' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 355' ' ' ILE . 18.3 Cg_endo -74.94 169.79 21.83 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.509 1.794 . . . . 1.96 111.003 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.53 167.07 33.45 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 3.04 110.342 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -39.31 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.512 1.796 . . . . 3.24 110.972 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 363' ' ' ASN . . . . . 0.422 ' C ' ' HD3' ' A' ' 365' ' ' PRO . 6.2 m-20 -159.19 112.72 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 3.84 109.285 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 364' ' ' TYR . . . . . 0.564 ' CE2' HD23 ' A' ' 354' ' ' LEU . 0.3 OUTLIER -132.95 58.16 33.44 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 3.78 111.008 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 365' ' ' PRO . . . . . 0.513 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.4 Cg_endo -75.01 62.94 5.96 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.48 1.779 . . . . 1.31 110.977 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 366' ' ' LYS . . . . . 0.532 ' HD3' ' CD2' ' A' ' 364' ' ' TYR . 0.1 OUTLIER -65.72 163.1 17.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 2.09 109.316 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 367' ' ' SER . . . . . 0.443 ' HG ' ' CE1' ' A' ' 369' ' ' HIS . 0.5 OUTLIER -119.92 127.25 52.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 2.49 109.973 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 368' ' ' ILE . . . . . 1.02 HD12 HG13 ' A' ' 377' ' ' VAL . 13.7 pt -65.09 -38.34 82.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 3.72 109.282 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 369' ' ' HIS . . . . . 0.443 ' CE1' ' HG ' ' A' ' 367' ' ' SER . 11.2 p-80 -63.86 -34.22 77.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 4.19 109.604 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 1.5 m -70.05 -8.9 53.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 3.91 110.008 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.97 2.57 53.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 6.29 111.01 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . 129.14 -26.58 4.41 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.486 1.116 . . . . 4.13 111.006 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 373' ' ' PHE . . . . . . . . . . . . . 27.9 t80 52.1 92.71 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.509 0.77 . . . . 5.56 110.99 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 374' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -162.76 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.789 . . . . 3.38 111.053 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -42.38 -57.92 2.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 6.59 109.308 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -161.64 102.83 1.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 6.07 110.94 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 377' ' ' VAL . . . . . 1.02 HG13 HD12 ' A' ' 368' ' ' ILE . 9.1 p -108.84 152.41 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 2.96 109.33 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.86 -37.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 3.99 109.292 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.74 132.99 26.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 1.7 109.256 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 5.0 mt -98.84 146.49 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 1.48 109.302 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.53 -51.08 9.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 2.07 109.286 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 382' ' ' ALA . . . . . 0.445 ' CB ' HG12 ' A' ' 432' ' ' VAL . . . -164.37 176.72 8.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.75 109.267 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -164.17 130.54 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.67 109.305 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 384' ' ' VAL . . . . . 0.503 HG12 ' HB2' ' A' ' 393' ' ' TYR . 9.7 p -141.17 159.45 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 2.24 109.325 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 385' ' ' PHE . . . . . 0.415 ' CG ' ' N ' ' A' ' 386' ' ' ASN . 81.6 t80 -100.28 165.48 11.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 1.86 110.973 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 386' ' ' ASN . . . . . 0.415 ' N ' ' CG ' ' A' ' 385' ' ' PHE . 9.6 t-20 -141.01 105.67 6.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 3.07 109.304 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -13.63 21.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.514 1.797 . . . . 1.78 110.971 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.33 -48.39 28.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 1.97 110.34 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.89 6.26 27.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 3.87 111.016 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 51.73 34.79 13.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 2.31 110.999 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -124.22 161.36 25.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 2.8 110.274 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 15.1 m -116.46 130.81 56.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 0.8 110.43 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 393' ' ' TYR . . . . . 0.503 ' HB2' HG12 ' A' ' 384' ' ' VAL . 20.0 m-30 -85.82 142.89 28.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 2.65 111.002 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.2 115.39 11.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 3.06 110.992 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 395' ' ' PHE . . . . . 0.68 ' CD2' HG21 ' A' ' 429' ' ' ILE . 47.4 m-85 -94.59 120.13 34.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 1.28 111.02 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.24 124.74 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 2.5 109.274 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 51.69 -154.94 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 3.87 109.326 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -84.72 49.91 1.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 3.28 109.31 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.21 169.38 19.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 2.36 110.317 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -126.57 120.31 29.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 2.97 111.0 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 3.9 m95 -115.2 163.42 15.68 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.98 -1.119 . . . . 5.37 107.98 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -152.1 118.34 5.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 2.7 110.317 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -95.83 163.29 13.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 4.83 110.998 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.4 123.87 48.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 2.97 109.29 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -83.04 -50.81 8.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 2.94 110.275 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -66.44 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 6.47 110.31 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -39.43 69.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 3.16 110.337 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.52 36.45 0.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 2.85 110.312 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.71 118.75 13.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 2.51 111.008 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -59.88 125.15 22.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 2.87 111.004 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.58 137.78 5.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 2.98 109.306 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 412' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 413' ' ' GLY . 18.3 Cg_endo -75.01 105.83 2.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.457 1.767 . . . . 2.66 111.023 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 413' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 412' ' ' PRO . . . 50.59 103.4 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.528 1.143 . . . . 2.07 111.016 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 414' ' ' TYR . . . . . 0.532 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 3.9 t80 -132.51 63.61 68.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.774 . . . . 2.26 110.996 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 415' ' ' PRO . . . . . 0.4 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.5 Cg_endo -74.96 69.95 5.39 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.515 1.798 . . . . 1.54 111.003 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 416' ' ' LYS . . . . . 0.532 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 5.1 mmtt -89.23 -172.53 3.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 2.55 109.309 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.1 mt -134.39 133.16 40.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 2.52 109.307 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.574 HG22 HD11 ' A' ' 425' ' ' ILE . 2.5 mt -60.73 -66.97 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.9 109.299 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 13.2 t -42.81 -36.09 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 1.05 110.413 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 15.1 mttp -66.19 -65.99 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 1.93 109.301 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 421' ' ' ASN . . . . . 0.588 ' O ' ' CD1' ' A' ' 422' ' ' PHE . 0.7 OUTLIER -47.61 -30.87 3.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 2.49 109.26 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 422' ' ' PHE . . . . . 0.644 ' HB2' HD12 ' A' ' 425' ' ' ILE . 28.1 m-85 -152.8 118.24 5.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 2.44 111.03 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -94.07 100.36 12.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 2.64 110.289 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 424' ' ' GLY . . . . . 0.422 ' HA3' HD13 ' A' ' 458' ' ' ILE . . . 161.71 -33.69 0.36 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 1.77 111.006 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 425' ' ' ILE . . . . . 0.644 HD12 ' HB2' ' A' ' 422' ' ' PHE . 0.2 OUTLIER -86.41 -19.51 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 2.19 109.27 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 89.49 174.52 46.02 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.485 1.115 . . . . 0.78 111.006 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -9.9 21.0 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.472 1.775 . . . . 1.22 111.006 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -125.05 134.77 52.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 2.27 109.323 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 429' ' ' ILE . . . . . 0.784 HD11 ' HB3' ' A' ' 442' ' ' PHE . 9.4 tp -125.13 152.02 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 1.53 109.276 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 430' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 443' ' ' PHE . 2.8 t0 -105.14 -60.02 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 2.21 109.305 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -141.15 153.53 45.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.84 109.311 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.506 HG11 ' CE1' ' A' ' 395' ' ' PHE . 1.2 p -158.01 138.02 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 1.83 109.259 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 433' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 433' ' ' PHE . 3.8 p90 -147.57 167.71 23.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 2.86 111.025 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 434' ' ' TYR . . . . . 0.472 ' CD1' ' O ' ' A' ' 439' ' ' TYR . 25.7 t80 -129.31 84.27 2.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 3.74 111.0 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.24 -5.38 15.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 2.39 109.989 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 436' ' ' LYS . . . . . 0.483 ' HG3' ' CE1' ' A' ' 441' ' ' TYR . 17.3 mmmt -74.05 -167.32 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 3.7 109.346 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -97.34 -36.51 10.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 3.6 109.29 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -159.98 46.48 0.25 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 4.31 109.345 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 439' ' ' TYR . . . . . 0.539 ' CD1' ' OE2' ' A' ' 450' ' ' GLU . 87.8 m-85 -146.9 160.52 42.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 2.23 110.964 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -126.97 116.02 20.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 3.46 111.008 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 441' ' ' TYR . . . . . 0.513 ' CE1' ' HG3' ' A' ' 450' ' ' GLU . 3.3 m-85 -90.49 158.58 16.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 2.4 111.03 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 442' ' ' PHE . . . . . 0.784 ' HB3' HD11 ' A' ' 429' ' ' ILE . 96.0 m-85 -146.44 143.68 29.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 3.37 111.008 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 443' ' ' PHE . . . . . 0.553 ' CE1' ' HG2' ' A' ' 448' ' ' GLN . 0.2 OUTLIER -117.78 118.4 31.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 3.75 110.978 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 444' ' ' GLN . . . . . 0.419 ' OE1' ' HA ' ' A' ' 425' ' ' ILE . 0.0 OUTLIER -142.87 105.01 4.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 6.17 110.307 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 83.13 -89.41 1.52 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 1.72 110.993 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.8 38.02 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 2.11 109.976 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 447' ' ' ASN . . . . . 0.521 ' OD1' ' CD2' ' A' ' 449' ' ' PHE . 16.6 p30 -143.65 133.94 24.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 3.77 109.311 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 448' ' ' GLN . . . . . 0.553 ' HG2' ' CE1' ' A' ' 443' ' ' PHE . 2.9 mt-30 -100.37 113.11 25.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 2.93 110.311 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 449' ' ' PHE . . . . . 0.521 ' CD2' ' OD1' ' A' ' 447' ' ' ASN . 20.2 m-85 -104.41 133.33 49.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 2.57 110.992 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 0.672 ' O ' HG23 ' A' ' 458' ' ' ILE . 2.4 tt0 -116.23 130.62 56.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 3.01 110.305 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -100.41 113.2 25.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 5.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.06 102.74 14.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 4.09 109.305 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 453' ' ' PHE . . . . . 0.418 ' C ' ' N ' ' A' ' 455' ' ' LEU . 19.7 t80 -61.08 -15.2 30.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 3.46 110.988 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 60.5 tp -43.58 -27.48 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 2.19 109.308 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.418 ' N ' ' C ' ' A' ' 453' ' ' PHE . 1.0 OUTLIER -175.37 35.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 2.08 109.31 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 456' ' ' GLN . . . . . 0.404 ' OE1' ' C ' ' A' ' 455' ' ' LEU . 3.7 mp0 44.12 52.12 7.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 3.24 110.318 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -125.89 121.32 32.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 3.58 110.28 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 458' ' ' ILE . . . . . 0.672 HG23 ' O ' ' A' ' 450' ' ' GLU . 5.0 mt -95.2 113.87 30.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 2.98 109.302 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 1.8 t -136.72 60.69 1.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 3.15 110.381 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 460' ' ' LYS . . . . . 0.403 ' CB ' ' HB3' ' A' ' 450' ' ' GLU . 0.0 OUTLIER -160.13 112.24 2.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 3.12 109.265 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 11.3 p -133.68 81.74 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 1.86 110.393 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 462' ' ' LEU . . . . . 0.761 HD11 ' CB ' ' A' ' 466' ' ' SER . 23.5 tp -88.23 158.01 18.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 2.81 109.296 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 463' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 464' ' ' SER . 0.4 OUTLIER -93.98 134.52 36.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 3.31 109.315 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 464' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 463' ' ' LYS . 4.8 t -37.95 -41.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.152 . . . . 1.57 110.016 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 26.8 p30 -112.19 72.2 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 2.9 109.33 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 466' ' ' SER . . . . . 0.761 ' CB ' HD11 ' A' ' 462' ' ' LEU . 67.5 p -109.85 -14.25 14.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 2.79 110.051 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 467' ' ' TRP . . . . . 0.517 ' CZ2' ' CD2' ' A' ' 462' ' ' LEU . 3.5 m-90 -103.91 -53.03 2.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 7.14 108.015 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 468' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 281' ' ' LEU . 9.0 t80 -39.98 -47.54 2.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 7.29 110.994 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 119.15 54.96 0.27 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 2.39 111.005 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 470' ' ' CYS . . . . . 1.288 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 N-CA-C 108.29 -1.004 . . . . 3.3 108.29 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 471' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 277' ' ' MET . . . . . 0.95 ' HB2' HG11 ' A' ' 318' ' ' VAL . 2.4 mtt . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 120.459 0.171 . . . . 9.2 111.009 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.61 68.05 71.83 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.585 1.178 . . . . 8.97 110.297 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -72.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.532 1.807 . . . . 4.56 111.024 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 280' ' ' ALA . . . . . 0.418 ' HB1' ' HB2' ' A' ' 283' ' ' ASP . . . -135.84 -54.06 0.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 4.59 109.28 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 281' ' ' LEU . . . . . . . . . . . . . 63.1 mt 44.58 30.01 0.47 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.473 1.108 . . . . 3.8 109.321 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 282' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -177.8 40.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 3.14 108.295 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 283' ' ' ASP . . . . . 0.418 ' HB2' ' HB1' ' A' ' 280' ' ' ALA . 0.4 OUTLIER -174.2 127.06 0.44 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.097 . . . . 3.47 109.292 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 73.77 4.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.512 1.796 . . . . 2.28 110.982 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -136.1 21.86 3.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 3.15 109.278 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.44 157.59 16.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 2.68 109.3 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 83.2 p -136.91 153.34 50.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 1.65 110.014 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -117.07 164.29 14.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.093 . . . . 1.88 110.98 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.5 -62.55 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 2.99 109.264 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 290' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 333' ' ' GLU . . . -152.19 145.91 25.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 1.32 109.328 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 291' ' ' VAL . . . . . . . . . . . . . 55.5 t -128.48 145.85 34.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 2.6 109.305 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 292' ' ' THR . . . . . 0.667 HG21 ' CD ' ' A' ' 337' ' ' GLU . 11.6 t -140.06 166.14 25.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 1.72 110.404 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 293' ' ' THR . . . . . 0.587 HG21 ' HB2' ' A' ' 435' ' ' SER . 4.4 t -121.64 129.53 52.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 2.52 110.411 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 294' ' ' VAL . . . . . 0.458 ' O ' HG12 ' A' ' 294' ' ' VAL . 3.5 t -149.82 97.11 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 2.36 109.289 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 76.13 43.69 20.53 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 3.37 110.968 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 296' ' ' ASN . . . . . 0.418 ' CG ' ' O ' ' A' ' 296' ' ' ASN . 25.2 t-20 61.95 25.73 15.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 0.767 . . . . 4.85 109.286 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.76 ' HA ' HG21 ' A' ' 310' ' ' VAL . 9.8 mtmt -112.45 131.83 55.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 3.15 109.301 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 298' ' ' ILE . . . . . 0.671 HD12 ' HZ ' ' A' ' 300' ' ' PHE . 3.3 pt -107.07 110.91 33.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 2.44 109.286 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 299' ' ' PHE . . . . . 0.71 ' CD2' HD21 ' A' ' 308' ' ' LEU . 48.5 m-85 -101.24 117.23 34.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 2.88 111.008 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 300' ' ' PHE . . . . . 0.671 ' HZ ' HD12 ' A' ' 298' ' ' ILE . 6.5 m-85 -99.89 93.45 5.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 3.07 110.994 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 301' ' ' PHE . . . . . 0.572 ' CE1' ' HB3' ' A' ' 299' ' ' PHE . 19.8 m-85 -83.86 161.52 20.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 3.19 111.04 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 302' ' ' LYS . . . . . 0.469 ' O ' ' O ' ' A' ' 305' ' ' PHE . 0.0 OUTLIER -174.85 145.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 3.48 109.303 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 303' ' ' ASP . . . . . 0.422 ' O ' ' HB2' ' A' ' 304' ' ' ARG . 0.5 OUTLIER -43.43 148.92 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 4.03 109.261 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 304' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 303' ' ' ASP . 0.0 OUTLIER 71.89 -74.25 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 4.69 110.27 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 305' ' ' PHE . . . . . 0.469 ' O ' ' O ' ' A' ' 302' ' ' LYS . 27.5 m-85 -135.08 169.81 16.86 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.462 1.101 . . . . 2.53 110.95 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 306' ' ' PHE . . . . . 0.427 ' CD2' HG13 ' A' ' 321' ' ' ILE . 43.1 p90 -127.94 -179.01 4.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 1.84 110.936 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 307' ' ' TRP . . . . . . . . . . . . . 7.6 m-90 -128.87 150.54 50.3 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.939 -1.134 . . . . 4.24 107.939 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.71 HD21 ' CD2' ' A' ' 299' ' ' PHE . 0.2 OUTLIER -139.39 132.04 28.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 2.43 109.302 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 309' ' ' LYS . . . . . 0.428 ' CD ' ' O ' ' A' ' 315' ' ' LYS . 15.4 tptt -156.63 90.18 1.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 2.15 109.36 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 310' ' ' VAL . . . . . 0.76 HG21 ' HA ' ' A' ' 297' ' ' LYS . 8.7 p -175.34 176.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 2.24 109.282 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 311' ' ' SER . . . . . 0.67 ' H ' HG22 ' A' ' 310' ' ' VAL . 24.2 t 63.94 -98.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 4.38 110.026 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -148.02 75.98 1.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.08 . . . . 4.8 110.321 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 313' ' ' ARG . . . . . 0.423 ' H ' ' NE ' ' A' ' 313' ' ' ARG . 0.0 OUTLIER -111.31 157.19 39.72 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 9.83 110.356 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -53.27 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.777 . . . . 3.45 110.977 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 315' ' ' LYS . . . . . 0.547 ' HG2' ' CE2' ' A' ' 468' ' ' PHE . 0.4 OUTLIER -140.57 -77.44 0.3 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 4.28 109.266 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 316' ' ' THR . . . . . 0.505 HG23 ' C ' ' A' ' 315' ' ' LYS . 40.9 p -156.07 -179.31 8.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 1.67 110.421 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.33 144.36 50.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 2.46 109.985 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 318' ' ' VAL . . . . . 0.95 HG11 ' HB2' ' A' ' 277' ' ' MET . 3.7 t -139.38 68.39 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.112 . . . . 2.26 109.373 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -122.44 175.96 6.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.419 1.075 . . . . 2.87 109.242 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.442 ' CD2' ' HB2' ' A' ' 322' ' ' SER . 0.5 OUTLIER -94.92 152.67 18.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 1.79 109.314 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 321' ' ' ILE . . . . . 0.427 HG13 ' CD2' ' A' ' 306' ' ' PHE . 1.1 mp -65.27 -64.31 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 1.19 109.329 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 322' ' ' SER . . . . . 0.442 ' HB2' ' CD2' ' A' ' 320' ' ' LEU . 69.7 m -43.67 -29.2 0.48 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 2.06 109.997 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 4.8 t -54.69 -40.5 69.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 1.27 110.01 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.47 -83.09 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.085 . . . . 2.17 109.34 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 1.5 m0 -50.15 152.28 3.04 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 107.964 -1.124 . . . . 1.66 107.964 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -88.42 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.558 1.82 . . . . 1.05 110.993 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 327' ' ' THR . . . . . 0.919 ' O ' HD22 ' A' ' 328' ' ' LEU . 9.7 t -100.22 93.01 5.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 1.36 110.394 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.919 HD22 ' O ' ' A' ' 327' ' ' THR . 3.4 mm? -136.9 147.02 57.44 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 1.13 109.344 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 329' ' ' PRO . . . . . 0.463 ' HD2' ' CD1' ' A' ' 328' ' ' LEU . 18.6 Cg_endo -74.87 157.66 43.18 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.515 1.798 . . . . 2.04 111.077 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.6 140.77 35.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 2.52 109.969 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 331' ' ' GLY . . . . . 0.402 ' CA ' ' HA ' ' A' ' 303' ' ' ASP . . . 72.27 57.46 5.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 1.22 110.944 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.421 HG21 HD12 ' A' ' 346' ' ' LEU . 50.1 mm -58.27 140.29 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 0.742 . . . . 2.16 109.293 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 333' ' ' GLU . . . . . 0.516 ' O ' ' HB2' ' A' ' 290' ' ' ALA . 3.7 mt-10 -89.51 -51.67 5.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 3.49 110.29 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 334' ' ' ALA . . . . . 0.432 ' HB3' ' CB ' ' A' ' 347' ' ' PHE . . . -129.82 164.4 24.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 1.39 109.289 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -154.81 133.66 12.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 1.05 109.298 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 336' ' ' TYR . . . . . 0.593 ' C ' ' CD1' ' A' ' 336' ' ' TYR . 0.1 OUTLIER -145.14 92.51 2.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 4.33 111.004 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 337' ' ' GLU . . . . . 0.667 ' CD ' HG21 ' A' ' 292' ' ' THR . 2.5 mp0 -87.16 164.42 16.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 6.07 110.303 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 338' ' ' ILE . . . . . 0.617 HD12 ' HB3' ' A' ' 340' ' ' ALA . 0.2 OUTLIER -154.13 111.42 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 4.88 109.37 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -71.81 -38.08 70.28 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.522 1.139 . . . . 4.43 110.262 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 340' ' ' ALA . . . . . 0.617 ' HB3' HD12 ' A' ' 338' ' ' ILE . . . -43.38 -35.02 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 2.41 109.354 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 341' ' ' ARG . . . . . 0.443 ' HG3' HG21 ' A' ' 338' ' ' ILE . 0.0 OUTLIER -109.38 -19.07 13.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 4.53 110.361 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 68.01 44.94 1.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 3.32 109.25 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 343' ' ' GLN . . . . . 0.539 ' OE1' HD21 ' A' ' 354' ' ' LEU . 44.8 mt-30 -114.47 171.23 7.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 2.35 110.278 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 344' ' ' VAL . . . . . 0.522 HG12 ' CD2' ' A' ' 346' ' ' LEU . 24.9 t -138.81 106.57 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 1.9 109.352 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 345' ' ' PHE . . . . . 0.704 ' C ' HD22 ' A' ' 346' ' ' LEU . 88.6 m-85 -103.99 130.35 51.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 3.83 110.937 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 0.704 HD22 ' C ' ' A' ' 345' ' ' PHE . 3.2 mm? -119.51 163.14 17.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 1.53 109.283 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 347' ' ' PHE . . . . . 0.432 ' CB ' ' HB3' ' A' ' 334' ' ' ALA . 20.9 m-85 -137.34 137.81 39.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 2.49 111.035 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 348' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.1 OUTLIER -166.2 125.41 1.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.414 1.071 . . . . 3.37 109.298 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.4 t70 53.54 -151.84 0.32 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 3.02 109.341 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 350' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -89.37 41.92 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 4.7 109.297 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 348' ' ' LYS . 5.3 mttp -155.19 154.17 31.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.605 1.191 . . . . 1.88 109.3 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 352' ' ' TYR . . . . . 0.633 ' HD2' HG23 ' A' ' 368' ' ' ILE . 26.0 p90 -140.0 141.38 36.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 2.57 111.028 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -101.99 156.56 17.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 6.1 108.012 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 354' ' ' LEU . . . . . 0.612 HD13 ' C ' ' A' ' 354' ' ' LEU . 2.8 tm? -121.06 131.68 54.42 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 1.093 . . . . 2.86 109.268 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.522 ' N ' HD13 ' A' ' 354' ' ' LEU . 3.9 mp -130.62 93.56 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 1.46 109.255 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 86.2 p -98.51 135.22 40.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 1.68 110.023 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 357' ' ' ASN . . . . . 0.581 ' O ' HD23 ' A' ' 358' ' ' LEU . 8.6 m120 60.44 43.06 13.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.124 . . . . 2.83 109.263 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 358' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 357' ' ' ASN . 0.3 OUTLIER 54.07 36.85 25.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 2.92 109.292 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 10.3 mmm-85 -149.2 129.32 6.66 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 4.02 110.319 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 360' ' ' PRO . . . . . 0.446 ' HA ' ' O ' ' A' ' 354' ' ' LEU . 18.2 Cg_endo -75.03 165.35 31.46 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.459 1.768 . . . . 1.61 110.998 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 361' ' ' GLU . . . . . 0.603 ' OE2' ' CE1' ' A' ' 364' ' ' TYR . 0.7 OUTLIER -81.15 165.49 44.5 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 3.06 110.255 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 362' ' ' PRO . . . . . 0.54 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.2 Cg_endo -75.02 56.03 4.14 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.457 1.767 . . . . 2.4 110.972 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 363' ' ' ASN . . . . . 0.54 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 1.7 m-20 84.96 102.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 4.38 109.221 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 364' ' ' TYR . . . . . 0.603 ' CE1' ' OE2' ' A' ' 361' ' ' GLU . 0.1 OUTLIER -127.77 65.97 69.35 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 3.05 111.011 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 365' ' ' PRO . . . . . 0.424 ' HD3' ' C ' ' A' ' 363' ' ' ASN . 18.2 Cg_endo -75.05 56.97 4.45 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.484 1.781 . . . . 1.2 111.013 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 366' ' ' LYS . . . . . 0.562 ' HE3' ' CE1' ' A' ' 364' ' ' TYR . 0.8 OUTLIER -83.64 -179.49 7.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 1.75 109.308 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 2.2 m -148.7 137.85 21.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 1.92 110.015 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 368' ' ' ILE . . . . . 0.633 HG23 ' HD2' ' A' ' 352' ' ' TYR . 27.5 pt -59.92 -17.8 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 1.96 109.324 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 369' ' ' HIS . . . . . 0.472 ' CA ' ' HB2' ' A' ' 373' ' ' PHE . 0.1 OUTLIER -60.52 -35.19 75.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 2.85 109.628 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 18.3 t -64.19 -10.55 23.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 2.47 110.014 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -96.12 33.47 1.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 5.78 110.98 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . 112.09 -43.25 1.76 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 3.59 110.975 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 373' ' ' PHE . . . . . 0.472 ' HB2' ' CA ' ' A' ' 369' ' ' HIS . 0.8 OUTLIER 54.71 95.67 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.535 0.785 . . . . 4.79 111.046 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 374' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -163.94 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.56 1.821 . . . . 2.39 110.994 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 32.5 p30 -116.3 51.22 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 5.13 109.272 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 178.09 36.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 7.85 110.96 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 377' ' ' VAL . . . . . 0.414 ' O ' ' CB ' ' A' ' 378' ' ' LYS . 2.2 p -117.75 157.44 19.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.526 1.141 . . . . 2.45 109.307 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 378' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 377' ' ' VAL . 1.9 mtmt 169.86 -36.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 3.47 109.309 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 379' ' ' LYS . . . . . 0.417 ' O ' HG13 ' A' ' 396' ' ' VAL . 3.7 pttt -149.97 127.58 11.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 1.76 109.326 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 380' ' ' ILE . . . . . 0.602 HD11 HD13 ' A' ' 368' ' ' ILE . 9.6 mt -92.71 143.56 11.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 1.03 109.244 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.76 -49.69 7.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 1.82 109.368 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -159.04 167.5 29.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.7 109.286 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -149.06 120.58 7.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.75 109.332 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 384' ' ' VAL . . . . . 0.58 ' O ' HG23 ' A' ' 392' ' ' THR . 12.2 p -126.82 154.6 36.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 1.98 109.267 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -102.19 155.76 18.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.85 110.98 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -141.96 96.24 6.7 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 2.4 109.236 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -11.68 21.48 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.525 1.803 . . . . 1.89 110.98 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -75.23 -24.98 57.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 2.12 110.291 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.46 4.52 7.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 2.79 110.983 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 54.09 31.15 13.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 2.43 111.013 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 391' ' ' ARG . . . . . 0.438 ' NH1' ' OD2' ' A' ' 411' ' ' ASP . 6.4 mtt180 -131.08 165.7 22.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 3.07 110.266 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 392' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 384' ' ' VAL . 50.9 m -125.92 132.84 52.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.75 110.342 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 393' ' ' TYR . . . . . 0.4 ' CE2' ' OH ' ' A' ' 400' ' ' TYR . 6.3 m-85 -80.19 140.81 36.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 1.91 110.964 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -128.59 113.37 15.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.414 1.071 . . . . 2.25 111.047 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 395' ' ' PHE . . . . . 0.53 ' CD2' HG21 ' A' ' 429' ' ' ILE . 23.2 m-85 -98.03 120.06 37.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 1.31 111.006 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 396' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 379' ' ' LYS . 5.1 t -145.15 130.85 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 1.64 109.304 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 1.5 t0 50.49 -153.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 3.29 109.328 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -89.04 49.63 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.591 1.182 . . . . 4.02 109.261 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -147.46 159.52 43.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 2.72 110.282 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 400' ' ' TYR . . . . . 0.4 ' OH ' ' CE2' ' A' ' 393' ' ' TYR . 2.6 t80 -116.65 109.6 17.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 2.37 111.003 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -107.24 154.46 21.2 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 5.46 108.044 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -148.43 125.3 11.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 2.6 110.288 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 403' ' ' TYR . . . . . 0.464 ' CD2' ' HB3' ' A' ' 410' ' ' MET . 5.8 m-85 -105.01 167.0 9.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.408 1.068 . . . . 6.8 110.975 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.31 128.04 54.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 2.15 109.327 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -87.03 -40.87 14.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 2.64 110.291 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -64.88 0.79 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 5.63 110.388 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -41.93 96.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 3.47 110.29 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 77.46 40.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 3.26 110.26 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.27 105.22 4.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 2.15 110.994 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 410' ' ' MET . . . . . 0.464 ' HB3' ' CD2' ' A' ' 403' ' ' TYR . 0.2 OUTLIER -55.48 133.14 49.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 3.01 110.945 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 411' ' ' ASP . . . . . 0.438 ' OD2' ' NH1' ' A' ' 391' ' ' ARG . 0.2 OUTLIER -51.13 139.87 23.39 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 2.64 109.298 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 110.44 3.12 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.525 1.803 . . . . 2.53 110.983 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 49.96 101.53 0.01 OUTLIER Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.464 1.102 . . . . 1.94 110.952 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 414' ' ' TYR . . . . . 0.558 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 2.0 t80 -133.97 62.84 59.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.481 0.754 . . . . 1.85 111.034 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 415' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.1 Cg_endo -75.08 66.64 6.08 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 1.36 110.992 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 416' ' ' LYS . . . . . 0.558 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 15.0 mmtt -84.83 -172.38 4.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 2.3 109.304 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.26 132.83 38.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 1.86 109.266 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.641 ' H ' HD12 ' A' ' 418' ' ' ILE . 3.6 mp -60.64 -73.45 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 1.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 419' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 418' ' ' ILE . 0.7 OUTLIER -38.64 -30.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 1.6 110.383 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 420' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 418' ' ' ILE . 31.5 mttt -70.36 -58.45 3.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 1.79 109.286 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -59.95 -47.58 85.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 2.69 109.281 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 422' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -122.24 101.39 7.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 2.68 110.948 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -88.88 115.91 26.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 1.89 110.276 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 140.15 -29.42 2.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 1.99 110.968 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 425' ' ' ILE . . . . . 0.509 HD12 HD13 ' A' ' 429' ' ' ILE . 20.2 pt -85.06 -48.57 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 2.31 109.298 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 127.82 169.7 12.7 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.112 . . . . 1.11 111.079 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 427' ' ' PRO . . . . . 0.483 ' O ' HD13 ' A' ' 418' ' ' ILE . 18.5 Cg_endo -74.97 -16.08 20.47 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.498 1.789 . . . . 1.32 111.056 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.4 134.87 54.7 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 2.37 109.305 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 429' ' ' ILE . . . . . 0.904 HD11 ' HB3' ' A' ' 442' ' ' PHE . 5.7 tp -115.41 148.0 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 1.69 109.267 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 430' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 443' ' ' PHE . 7.2 t0 -107.01 -63.11 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 2.69 109.341 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.658 ' HB3' ' HB2' ' A' ' 443' ' ' PHE . . . -131.07 147.89 52.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 1.24 109.253 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.413 ' CG2' HG12 ' A' ' 429' ' ' ILE . 21.3 t -145.75 128.43 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 2.67 109.286 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 433' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 441' ' ' TYR . 26.7 p90 -146.45 138.89 25.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 2.85 111.064 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -119.68 120.02 35.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 3.26 110.982 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 435' ' ' SER . . . . . 0.587 ' HB2' HG21 ' A' ' 293' ' ' THR . 10.9 t -134.3 9.99 3.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 3.57 110.005 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 436' ' ' LYS . . . . . 0.469 ' CB ' ' HB2' ' A' ' 439' ' ' TYR . 0.2 OUTLIER -100.41 -154.35 0.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 4.98 109.334 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -109.83 -39.44 5.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 4.54 109.265 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 438' ' ' LYS . . . . . 0.43 ' CG ' ' O ' ' A' ' 438' ' ' LYS . 0.3 OUTLIER -147.31 39.37 0.99 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.402 1.064 . . . . 5.8 109.369 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 439' ' ' TYR . . . . . 0.469 ' HB2' ' CB ' ' A' ' 436' ' ' LYS . 86.7 m-85 -138.06 147.27 43.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 3.58 111.016 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 440' ' ' TYR . . . . . 0.424 ' HB2' ' CE1' ' A' ' 442' ' ' PHE . 7.4 m-85 -128.05 136.48 51.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 3.48 110.942 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 441' ' ' TYR . . . . . 0.553 ' HB3' ' CE2' ' A' ' 433' ' ' PHE . 83.8 m-85 -105.05 130.36 53.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 3.3 111.009 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 442' ' ' PHE . . . . . 0.904 ' HB3' HD11 ' A' ' 429' ' ' ILE . 37.0 m-85 -123.3 149.81 44.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 3.17 111.016 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 443' ' ' PHE . . . . . 0.658 ' HB2' ' HB3' ' A' ' 431' ' ' ALA . 1.5 m-85 -123.54 122.08 37.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 4.25 110.969 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 444' ' ' GLN . . . . . 0.44 ' O ' ' ND2' ' A' ' 447' ' ' ASN . 0.0 OUTLIER -126.97 77.58 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 3.72 110.313 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 98.11 -113.56 4.76 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.442 1.089 . . . . 2.49 111.048 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 67.9 p -111.47 11.44 21.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 2.09 109.989 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 447' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 444' ' ' GLN . 0.2 OUTLIER -132.92 133.23 42.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 2.02 109.277 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 448' ' ' GLN . . . . . 0.561 ' HG2' HD23 ' A' ' 462' ' ' LEU . 0.1 OUTLIER -113.5 134.82 54.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 4.01 110.247 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 449' ' ' PHE . . . . . 0.463 ' HB2' HG22 ' A' ' 425' ' ' ILE . 92.0 m-85 -108.27 151.19 26.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 2.76 110.979 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 0.538 ' OE1' ' CE1' ' A' ' 441' ' ' TYR . 57.2 tt0 -124.13 100.42 6.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 3.04 110.331 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -79.62 119.84 23.12 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.541 1.151 . . . . 3.02 111.035 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.17 158.55 16.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 4.21 109.282 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -90.82 -10.91 41.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 4.01 111.009 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 12.2 tp -47.06 -34.97 6.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 3.19 109.304 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.476 HD13 ' HB2' ' A' ' 457' ' ' ARG . 0.3 OUTLIER -168.08 32.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 3.14 109.242 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 44.3 58.72 3.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 3.01 110.326 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 457' ' ' ARG . . . . . 0.476 ' HB2' HD13 ' A' ' 455' ' ' LEU . 2.7 mmm180 -140.96 175.65 9.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.612 1.195 . . . . 4.02 110.277 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 458' ' ' ILE . . . . . 0.463 HG21 ' HD2' ' A' ' 449' ' ' PHE . 11.4 mt -110.29 121.57 63.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 1.85 109.291 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 13.6 t -110.79 -19.81 12.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 2.38 110.452 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 460' ' ' LYS . . . . . 0.521 ' O ' HG23 ' A' ' 461' ' ' THR . 0.0 OUTLIER -112.37 134.48 53.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 4.88 109.33 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 461' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 460' ' ' LYS . 4.0 p -155.12 87.07 1.11 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.529 1.143 . . . . 2.49 110.354 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 462' ' ' LEU . . . . . 0.561 HD23 ' HG2' ' A' ' 448' ' ' GLN . 0.0 OUTLIER -105.63 150.82 25.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 2.99 109.27 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 31.5 mtpt -95.48 159.98 14.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.588 1.18 . . . . 3.3 109.307 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 16.9 t -51.8 -44.59 63.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 2.02 109.991 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -94.08 51.59 1.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 3.18 109.305 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 466' ' ' SER . . . . . 0.455 ' HB3' HD12 ' A' ' 462' ' ' LEU . 0.2 OUTLIER -128.5 51.75 1.97 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 2.61 110.04 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -177.89 -40.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 4.58 108.013 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 468' ' ' PHE . . . . . 0.567 ' C ' ' CD1' ' A' ' 468' ' ' PHE . 0.1 OUTLIER -61.08 -28.37 69.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 7.28 111.022 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 113.79 42.27 0.87 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.525 1.141 . . . . 2.48 111.024 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 N-CA-C 108.387 -0.968 . . . . 3.53 108.387 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 471' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 277' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.482 0.182 . . . . 7.27 110.984 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 40.21 79.92 0.3 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 6.97 110.296 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 279' ' ' PRO . . . . . 0.569 ' HB2' HD11 ' A' ' 286' ' ' LEU . 18.2 Cg_endo -75.03 83.15 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.491 1.785 . . . . 3.35 110.988 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 280' ' ' ALA . . . . . 0.534 ' HB1' ' HB2' ' A' ' 283' ' ' ASP . . . -46.03 96.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 3.1 109.272 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 281' ' ' LEU . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 468' ' ' PHE . 15.6 mt -67.6 -35.64 79.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.586 1.179 . . . . 2.59 109.31 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 282' ' ' CYS . . . . . . . . . . . . . 7.2 t -96.78 57.97 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 2.83 108.288 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 283' ' ' ASP . . . . . 0.534 ' HB2' ' HB1' ' A' ' 280' ' ' ALA . 11.6 m-20 -167.7 127.4 1.08 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 3.18 109.342 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 81.92 2.12 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.552 1.817 . . . . 1.76 111.023 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -174.93 34.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 2.67 109.338 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 286' ' ' LEU . . . . . 0.569 HD11 ' HB2' ' A' ' 279' ' ' PRO . 0.9 OUTLIER -101.69 139.34 37.47 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 2.19 109.371 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 56.8 p -132.36 151.22 51.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 1.39 110.016 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 288' ' ' PHE . . . . . 0.769 ' CE2' ' CD1' ' A' ' 300' ' ' PHE . 16.8 m-85 -119.88 166.05 13.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 2.8 110.983 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.0 -62.6 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 2.26 109.281 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -127.65 160.61 31.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.87 109.288 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 291' ' ' VAL . . . . . 0.984 HG22 ' HB1' ' A' ' 431' ' ' ALA . 16.9 m -142.85 135.91 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 2.01 109.306 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 292' ' ' THR . . . . . 0.472 ' OG1' ' HB1' ' A' ' 335' ' ' ALA . 1.6 m -151.72 158.51 43.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 2.18 110.36 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 9.4 t -129.08 149.61 50.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 2.47 110.43 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 53.0 t -130.94 71.72 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 1.76 109.308 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 94.33 -107.55 3.56 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.575 1.172 . . . . 1.71 111.033 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 296' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 296' ' ' ASN . 2.5 p-10 -108.46 18.21 21.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 0.738 . . . . 4.16 109.252 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.713 ' HA ' HG23 ' A' ' 310' ' ' VAL . 0.0 OUTLIER -125.32 153.63 43.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 3.62 109.283 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 298' ' ' ILE . . . . . 0.496 ' C ' HD12 ' A' ' 298' ' ' ILE . 2.2 pp -124.1 172.17 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 3.3 109.289 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -144.2 125.87 15.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 2.26 111.002 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 300' ' ' PHE . . . . . 0.769 ' CD1' ' CE2' ' A' ' 288' ' ' PHE . 4.8 m-85 -109.06 98.52 7.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 2.95 110.992 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -80.59 143.15 33.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 2.43 110.974 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -111.78 -63.45 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.165 . . . . 3.21 109.291 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -167.54 -60.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 3.67 109.252 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.16 -27.99 8.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 6.13 110.27 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 305' ' ' PHE . . . . . 0.685 ' CE1' HD12 ' A' ' 320' ' ' LEU . 24.5 m-85 -113.72 161.31 17.67 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 2.92 111.043 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 306' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -123.51 135.46 54.05 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.594 1.184 . . . . 1.79 111.021 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 307' ' ' TRP . . . . . 0.488 ' CE2' HG22 ' A' ' 318' ' ' VAL . 1.4 m-90 -90.13 146.97 23.89 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.963 -1.125 . . . . 4.91 107.963 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.65 79.31 1.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 1.77 109.312 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -105.26 88.55 2.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 2.02 109.299 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 310' ' ' VAL . . . . . 0.713 HG23 ' HA ' ' A' ' 297' ' ' LYS . 4.9 p -105.65 178.53 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.621 1.2 . . . . 2.77 109.35 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 311' ' ' SER . . . . . 0.69 ' H ' HG22 ' A' ' 310' ' ' VAL . 10.9 t -67.18 139.03 57.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 5.39 110.031 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 70.49 41.41 0.98 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 5.62 110.298 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -106.31 130.1 23.49 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 4.63 110.317 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -36.1 2.71 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.538 1.81 . . . . 2.45 111.044 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -156.28 162.72 40.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.093 . . . . 4.21 109.311 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 24.4 p -80.17 144.04 33.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 1.53 110.409 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.19 156.89 18.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 2.05 109.986 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 318' ' ' VAL . . . . . 0.506 ' O ' HG12 ' A' ' 318' ' ' VAL . 84.4 t -142.98 65.57 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 1.97 109.293 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -105.32 -179.56 3.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 1.94 109.274 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.685 HD12 ' CE1' ' A' ' 305' ' ' PHE . 0.6 OUTLIER -103.69 158.15 16.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 1.81 109.232 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 321' ' ' ILE . . . . . . . . . . . . . 4.1 mt -68.26 -72.74 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 1.1 109.297 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 62.2 m -41.55 -32.91 0.39 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 2.09 110.026 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.39 -46.43 6.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 1.28 109.938 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.94 -76.72 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 1.97 109.281 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 325' ' ' TRP . . . . . 0.467 ' HB3' HD23 ' A' ' 328' ' ' LEU . 0.5 OUTLIER -46.94 148.25 1.96 Allowed Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.519 1.137 . . . . 1.56 108.067 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -74.99 -74.22 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.525 1.803 . . . . 1.23 110.996 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 327' ' ' THR . . . . . 0.891 ' O ' HD22 ' A' ' 328' ' ' LEU . 73.9 m -111.66 94.11 4.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 2.86 110.468 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.891 HD22 ' O ' ' A' ' 327' ' ' THR . 3.2 mm? -137.21 141.24 33.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 1.21 109.309 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 329' ' ' PRO . . . . . 0.431 ' HD2' ' CD1' ' A' ' 328' ' ' LEU . 18.3 Cg_endo -74.96 158.02 42.61 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.533 1.807 . . . . 2.06 111.051 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 8.3 p -108.89 152.26 25.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 2.4 109.962 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 74.28 45.33 25.2 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.49 1.119 . . . . 1.45 110.991 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.511 ' CD1' HD13 ' A' ' 346' ' ' LEU . 20.5 mt -58.17 129.66 20.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.403 0.707 . . . . 1.6 109.339 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.61 -37.72 14.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.383 1.052 . . . . 3.03 110.29 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 334' ' ' ALA . . . . . 0.607 ' HB1' ' HA ' ' A' ' 382' ' ' ALA . . . -136.11 157.36 47.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 1.92 109.308 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 335' ' ' ALA . . . . . 0.472 ' HB1' ' OG1' ' A' ' 292' ' ' THR . . . -146.09 108.67 4.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 1.04 109.317 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 336' ' ' TYR . . . . . 0.718 ' HB2' ' HB3' ' A' ' 383' ' ' ALA . 34.9 t80 -103.8 147.03 27.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 3.75 111.014 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -116.36 124.4 49.97 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.442 1.089 . . . . 4.89 110.247 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 338' ' ' ILE . . . . . 0.674 ' O ' HG23 ' A' ' 338' ' ' ILE . 3.4 tt -97.96 74.8 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 4.1 109.269 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.3 63.99 0.15 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.143 . . . . 3.67 110.339 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 340' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 338' ' ' ILE . . . -140.58 -67.46 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 2.31 109.255 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 19.5 ptp180 -94.63 10.04 36.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 4.12 110.276 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 54.9 t30 61.47 79.12 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.173 . . . . 2.37 109.337 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -150.95 162.42 40.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 2.67 110.311 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 344' ' ' VAL . . . . . 0.54 ' O ' HG22 ' A' ' 355' ' ' ILE . 87.4 t -117.3 133.42 64.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 1.5 109.31 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 345' ' ' PHE . . . . . 0.447 ' O ' HD23 ' A' ' 346' ' ' LEU . 5.2 m-85 -122.67 141.49 51.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 2.67 111.026 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 0.704 HD12 HD12 ' A' ' 328' ' ' LEU . 85.2 mt -127.35 169.86 13.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.495 1.122 . . . . 2.5 109.282 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 347' ' ' PHE . . . . . 0.499 ' HB2' ' HB3' ' A' ' 334' ' ' ALA . 33.4 m-85 -138.28 143.34 39.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 2.59 111.02 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 348' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.1 OUTLIER -163.76 117.54 1.51 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 4.54 109.273 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 5.4 t0 54.45 -150.88 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 3.13 109.28 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 350' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 3.9 t70 -87.88 41.34 0.99 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 4.29 109.242 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.419 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 2.7 mtmp? -155.07 152.77 29.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 2.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 352' ' ' TYR . . . . . 0.703 ' HD2' HG23 ' A' ' 368' ' ' ILE . 29.6 p90 -141.25 155.68 45.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 2.6 110.999 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 3.5 m-90 -116.65 163.37 16.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 4.3 107.973 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 354' ' ' LEU . . . . . 0.41 HD13 ' CE1' ' A' ' 345' ' ' PHE . 0.3 OUTLIER -137.48 135.73 37.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 2.04 109.349 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.54 HG22 ' O ' ' A' ' 344' ' ' VAL . 1.0 OUTLIER -119.54 115.5 47.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 3.68 109.292 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 6.3 t -116.16 134.5 54.86 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 1.78 109.989 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 357' ' ' ASN . . . . . 0.752 ' O ' HD23 ' A' ' 358' ' ' LEU . 48.1 m-20 56.38 46.19 21.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 3.43 109.242 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 358' ' ' LEU . . . . . 0.752 HD23 ' O ' ' A' ' 357' ' ' ASN . 0.2 OUTLIER 54.12 27.45 7.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 3.33 109.33 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 1.8 mmt-85 -143.05 127.46 9.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 3.66 110.312 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 360' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 166.26 29.6 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.489 1.784 . . . . 1.84 111.009 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -76.07 158.9 81.62 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.586 1.179 . . . . 2.5 110.299 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 362' ' ' PRO . . . . . 0.549 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.4 Cg_endo -74.87 59.75 5.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.468 1.772 . . . . 2.65 111.021 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 363' ' ' ASN . . . . . 0.549 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 9.2 m-20 85.73 102.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 4.09 109.304 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 364' ' ' TYR . . . . . 0.555 ' CD1' ' CE ' ' A' ' 366' ' ' LYS . 0.0 OUTLIER -128.99 65.99 75.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 3.08 111.029 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 54.66 3.68 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.784 . . . . 1.21 111.077 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 366' ' ' LYS . . . . . 0.555 ' CE ' ' CD1' ' A' ' 364' ' ' TYR . 0.3 OUTLIER -79.47 178.22 8.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 2.17 109.256 -179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.42 135.57 23.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 2.11 109.996 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 368' ' ' ILE . . . . . 0.703 HG23 ' HD2' ' A' ' 352' ' ' TYR . 1.1 pp -61.73 -16.47 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.43 1.081 . . . . 1.99 109.328 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 369' ' ' HIS . . . . . 0.485 ' CA ' ' HB2' ' A' ' 373' ' ' PHE . 0.0 OUTLIER -71.05 -37.56 72.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 2.87 109.546 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.59 -9.94 15.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 2.37 109.977 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.97 5.21 51.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 6.02 111.014 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 372' ' ' GLY . . . . . 0.424 ' O ' ' HB3' ' A' ' 373' ' ' PHE . . . 157.66 -64.79 0.3 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 3.28 110.969 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 373' ' ' PHE . . . . . 0.581 ' CZ ' ' HA ' ' A' ' 375' ' ' ASN . 31.6 t80 58.08 95.04 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.54 0.788 . . . . 4.71 111.022 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 374' ' ' PRO . . . . . 0.54 ' HG2' HG13 ' A' ' 377' ' ' VAL . 18.3 Cg_endo -75.02 -1.13 10.83 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 2.76 111.009 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 375' ' ' ASN . . . . . 0.581 ' HA ' ' CZ ' ' A' ' 373' ' ' PHE . 1.5 t-20 74.05 45.77 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 6.6 109.326 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -159.53 -43.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 5.79 110.945 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 377' ' ' VAL . . . . . 0.54 HG13 ' HG2' ' A' ' 374' ' ' PRO . 34.6 m -48.82 170.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.586 1.179 . . . . 2.84 109.331 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 378' ' ' LYS . . . . . 0.453 ' HG2' ' N ' ' A' ' 379' ' ' LYS . 0.0 OUTLIER -177.88 -35.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 5.18 109.287 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 379' ' ' LYS . . . . . 0.453 ' N ' ' HG2' ' A' ' 378' ' ' LYS . 0.0 OUTLIER -149.61 132.54 16.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 1.68 109.317 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 380' ' ' ILE . . . . . 0.443 HD12 ' CD1' ' A' ' 347' ' ' PHE . 11.9 mt -98.91 143.55 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.97 109.287 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 381' ' ' ASP . . . . . 0.509 ' HB3' HG23 ' A' ' 429' ' ' ILE . 4.1 m-20 -81.11 -49.68 10.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 1.97 109.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 382' ' ' ALA . . . . . 0.729 ' HB3' HG12 ' A' ' 432' ' ' VAL . . . -168.1 171.46 9.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 1.35 109.294 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 383' ' ' ALA . . . . . 0.718 ' HB3' ' HB2' ' A' ' 336' ' ' TYR . . . -153.53 130.75 11.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.88 109.284 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 384' ' ' VAL . . . . . 0.641 HG13 HG13 ' A' ' 432' ' ' VAL . 19.0 m -123.38 159.01 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 2.33 109.273 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 385' ' ' PHE . . . . . 0.406 ' HB2' ' CE1' ' A' ' 336' ' ' TYR . 20.7 t80 -97.77 153.73 18.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 2.05 111.056 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -137.77 93.6 12.15 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 2.53 109.308 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -16.72 20.11 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.402 1.738 . . . . 2.04 111.016 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -75.42 -40.33 57.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.396 1.06 . . . . 2.07 110.267 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -108.64 13.03 25.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 3.31 110.979 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 41.83 51.32 4.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 2.5 110.972 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 -151.6 174.03 13.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.613 1.196 . . . . 3.19 110.273 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 392' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 384' ' ' VAL . 18.3 m -131.59 133.78 45.36 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.555 1.159 . . . . 0.8 110.386 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 393' ' ' TYR . . . . . 0.457 ' HB2' HG22 ' A' ' 384' ' ' VAL . 7.2 m-85 -80.42 134.99 36.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 1.82 110.997 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 394' ' ' PHE . . . . . 0.501 ' CD1' ' CD1' ' A' ' 403' ' ' TYR . 2.4 m-85 -121.93 105.46 10.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.143 . . . . 2.26 110.957 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 395' ' ' PHE . . . . . 0.496 ' CE2' HG11 ' A' ' 432' ' ' VAL . 81.6 m-85 -89.52 116.65 27.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 1.09 110.995 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 10.7 m -143.36 131.69 19.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 2.87 109.254 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 51.88 -154.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 4.42 109.267 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -87.59 49.6 1.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 3.66 109.324 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 399' ' ' GLN . . . . . 0.513 ' O ' HD11 ' A' ' 418' ' ' ILE . 0.7 OUTLIER -146.66 162.93 37.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 2.3 110.219 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 400' ' ' TYR . . . . . 0.501 ' CG ' ' O ' ' A' ' 400' ' ' TYR . 0.4 OUTLIER -117.15 87.27 2.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 2.2 110.996 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -82.42 156.66 24.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 4.97 108.0 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -154.09 127.17 8.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 3.46 110.253 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 403' ' ' TYR . . . . . 0.526 ' CD2' ' HB3' ' A' ' 410' ' ' MET . 9.1 m-85 -106.08 177.3 4.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 6.98 110.96 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -119.71 129.62 54.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 2.56 109.294 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -86.19 -50.3 7.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 3.74 110.301 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -59.07 -64.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 8.06 110.294 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.79 -39.56 92.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 2.91 110.275 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 71.59 46.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 2.6 110.329 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 11.4 tpt -144.91 108.86 4.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 2.33 110.951 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 410' ' ' MET . . . . . 0.526 ' HB3' ' CD2' ' A' ' 403' ' ' TYR . 0.0 OUTLIER -57.87 129.27 41.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.578 1.174 . . . . 2.08 110.943 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.93 135.66 56.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 2.67 109.293 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 113.11 3.72 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.448 1.762 . . . . 2.36 110.99 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 49.86 101.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.467 1.104 . . . . 1.94 111.022 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 414' ' ' TYR . . . . . 0.578 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 1.8 t80 -135.34 62.61 51.33 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 1.89 110.974 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 415' ' ' PRO . . . . . 0.432 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -75.02 66.22 6.05 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.507 1.793 . . . . 1.44 111.019 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 416' ' ' LYS . . . . . 0.578 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 9.7 mmtt -80.68 -171.45 3.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 3.55 109.307 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 417' ' ' LEU . . . . . 0.436 HD22 ' O ' ' A' ' 416' ' ' LYS . 0.4 OUTLIER -136.65 138.73 41.42 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.497 1.123 . . . . 2.74 109.304 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.513 HD11 ' O ' ' A' ' 399' ' ' GLN . 3.6 mp -69.78 -73.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 1.23 109.34 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 419' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 418' ' ' ILE . 9.3 t -38.12 -31.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 1.32 110.432 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 420' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 418' ' ' ILE . 9.2 mtpt -70.35 -70.0 0.32 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.553 1.158 . . . . 2.26 109.343 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 421' ' ' ASN . . . . . 0.479 ' OD1' ' CZ ' ' A' ' 422' ' ' PHE . 22.8 t-20 -48.79 -50.69 32.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 2.49 109.279 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 422' ' ' PHE . . . . . 0.479 ' CZ ' ' OD1' ' A' ' 421' ' ' ASN . 70.1 m-85 -118.48 97.79 5.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 2.69 111.006 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -70.07 151.56 45.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 3.05 110.26 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 424' ' ' GLY . . . . . 0.433 ' O ' HD13 ' A' ' 425' ' ' ILE . . . 73.61 40.25 47.1 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.443 1.089 . . . . 1.71 111.019 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 425' ' ' ILE . . . . . 0.433 HD13 ' O ' ' A' ' 424' ' ' GLY . 4.8 mm -134.57 -64.64 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 0.752 . . . . 3.38 109.362 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 139.62 164.1 9.76 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.459 1.099 . . . . 1.31 111.0 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -18.68 18.75 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.525 1.803 . . . . 1.57 110.983 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.443 ' O ' ' NE2' ' A' ' 444' ' ' GLN . 0.9 OUTLIER -128.97 141.73 51.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 3.24 109.297 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 429' ' ' ILE . . . . . 0.509 HG23 ' HB3' ' A' ' 381' ' ' ASP . 7.5 tp -111.54 158.17 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 1.88 109.33 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -110.01 -45.15 3.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 2.35 109.252 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.984 ' HB1' HG22 ' A' ' 291' ' ' VAL . . . -162.3 152.48 16.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.75 109.32 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.744 HG21 ' CE1' ' A' ' 442' ' ' PHE . 8.4 p -159.21 140.61 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 1.77 109.231 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 433' ' ' PHE . . . . . 0.442 ' HA ' HG12 ' A' ' 384' ' ' VAL . 2.3 p90 -153.17 152.92 31.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 2.77 110.984 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 434' ' ' TYR . . . . . 0.599 ' O ' ' CD2' ' A' ' 434' ' ' TYR . 7.9 t80 -102.85 96.03 6.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 3.76 111.029 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 435' ' ' SER . . . . . 0.435 ' HB3' ' CE2' ' A' ' 433' ' ' PHE . 98.5 p -108.77 -19.72 13.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 2.39 109.975 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 436' ' ' LYS . . . . . 0.401 ' CB ' ' HB2' ' A' ' 439' ' ' TYR . 20.9 mmtt -81.74 -169.23 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 3.6 109.3 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -91.63 -42.01 10.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 4.06 109.305 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 438' ' ' LYS . . . . . 0.432 ' O ' ' CG ' ' A' ' 438' ' ' LYS . 0.0 OUTLIER -156.85 59.67 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 3.23 109.292 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 439' ' ' TYR . . . . . 0.459 ' CE1' ' HB2' ' A' ' 452' ' ' ASP . 34.9 m-85 -146.35 156.19 43.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 2.53 111.041 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -118.94 122.84 43.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 3.2 111.03 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 441' ' ' TYR . . . . . 0.542 ' CE1' ' HG3' ' A' ' 450' ' ' GLU . 6.7 m-85 -109.39 102.55 11.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 2.23 110.999 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 442' ' ' PHE . . . . . 0.744 ' CE1' HG21 ' A' ' 432' ' ' VAL . 37.8 m-85 -104.06 155.93 18.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 3.37 110.948 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 443' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -154.69 150.86 28.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 5.45 111.0 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 444' ' ' GLN . . . . . 0.536 ' CG ' ' O ' ' A' ' 444' ' ' GLN . 3.2 tt0 -163.99 66.04 0.16 Allowed 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.449 1.093 . . . . 4.68 110.27 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 137.92 -72.27 0.45 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 1.84 111.009 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 1.7 t -172.47 49.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 2.34 110.002 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -153.36 123.54 7.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 2.1 109.284 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -107.43 94.74 5.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 3.33 110.292 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 449' ' ' PHE . . . . . 0.511 ' CD1' HD13 ' A' ' 458' ' ' ILE . 96.5 m-85 -82.73 135.33 35.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 2.58 110.992 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 0.542 ' HG3' ' CE1' ' A' ' 441' ' ' TYR . 5.9 tt0 -108.82 115.57 30.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 2.8 110.339 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -101.81 152.73 20.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 2.87 111.008 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 452' ' ' ASP . . . . . 0.459 ' HB2' ' CE1' ' A' ' 439' ' ' TYR . 46.0 t0 -144.86 162.25 37.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 3.53 109.319 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 453' ' ' PHE . . . . . 0.554 ' O ' ' CD1' ' A' ' 453' ' ' PHE . 25.8 t80 -83.9 -7.93 59.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.586 1.179 . . . . 4.9 110.97 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 31.9 tp -45.16 -37.11 4.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 3.53 109.346 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -173.48 35.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 2.48 109.281 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 40.31 54.2 2.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 4.27 110.261 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -139.97 159.02 43.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 3.57 110.249 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 458' ' ' ILE . . . . . 0.511 HD13 ' CD1' ' A' ' 449' ' ' PHE . 56.5 mt -84.5 143.27 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 1.84 109.405 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 81.5 p -122.16 -40.11 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 3.26 110.433 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 460' ' ' LYS . . . . . 0.435 ' HB3' ' CB ' ' A' ' 450' ' ' GLU . 0.0 OUTLIER -110.16 131.76 54.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 3.86 109.293 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 461' ' ' THR . . . . . 0.466 HG22 ' CD1' ' A' ' 449' ' ' PHE . 1.9 p -136.45 64.72 1.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 2.42 110.429 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 462' ' ' LEU . . . . . 0.611 HD12 ' HB3' ' A' ' 466' ' ' SER . 1.6 pt? -90.87 179.1 5.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 2.11 109.286 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -107.96 165.18 11.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 2.5 109.274 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 37.7 t -56.12 -46.56 79.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 2.24 109.953 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 34.2 p-10 -89.48 56.01 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 3.14 109.343 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 466' ' ' SER . . . . . 0.611 ' HB3' HD12 ' A' ' 462' ' ' LEU . 30.0 t -106.44 -20.04 13.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.098 . . . . 2.28 110.006 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 467' ' ' TRP . . . . . 0.483 ' HA ' ' CE3' ' A' ' 467' ' ' TRP . 0.1 OUTLIER -94.25 -54.68 3.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 4.02 107.999 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 468' ' ' PHE . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 281' ' ' LEU . 17.2 t80 -38.77 -50.91 1.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.587 1.18 . . . . 6.73 111.005 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 123.83 60.97 0.19 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.519 1.137 . . . . 2.18 111.036 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 N-CA-C 108.331 -0.988 . . . . 3.48 108.331 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 471' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 277' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.539 0.209 . . . . 9.01 111.03 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -157.21 158.06 30.77 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 5.98 110.271 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -161.88 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.545 1.813 . . . . 4.05 110.946 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 280' ' ' ALA . . . . . . . . . . . . . . . -165.1 -61.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 3.45 109.234 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 281' ' ' LEU . . . . . 0.829 HD21 ' CD1' ' A' ' 307' ' ' TRP . 0.2 OUTLIER 44.54 73.15 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 2.43 109.311 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 282' ' ' CYS . . . . . 1.103 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 35.8 t 178.2 -80.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 4.56 108.282 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 283' ' ' ASP . . . . . 0.557 ' HB3' HD22 ' A' ' 285' ' ' ASN . 0.6 OUTLIER -93.35 169.03 10.9 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 4.9 109.285 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 60.22 5.4 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.443 1.76 . . . . 2.76 111.004 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 285' ' ' ASN . . . . . 0.557 HD22 ' HB3' ' A' ' 283' ' ' ASP . 0.0 OUTLIER -111.12 -15.88 13.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 3.12 109.33 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 286' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 286' ' ' LEU . 12.1 tp -106.23 164.09 12.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 3.53 109.303 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 90.1 p -144.3 -179.98 6.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 1.61 110.006 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 288' ' ' PHE . . . . . 0.4 ' CE2' ' OG ' ' A' ' 464' ' ' SER . 21.7 m-85 -135.26 167.91 20.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 2.1 110.982 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.2 -55.64 2.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 2.31 109.351 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 290' ' ' ALA . . . . . 0.434 ' HB2' ' C ' ' A' ' 333' ' ' GLU . . . -132.89 152.43 51.87 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.491 1.119 . . . . 0.76 109.285 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 291' ' ' VAL . . . . . 0.471 HG22 ' HB1' ' A' ' 431' ' ' ALA . 3.2 m -149.79 121.02 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 1.85 109.279 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 14.9 t -120.73 146.51 46.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 1.18 110.396 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 293' ' ' THR . . . . . 0.74 HG22 HG22 ' A' ' 298' ' ' ILE . 74.4 p -98.02 141.2 31.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.085 . . . . 2.95 110.376 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 294' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 296' ' ' ASN . 88.8 t -137.21 113.48 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 1.87 109.3 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 59.58 -81.97 0.01 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.469 1.105 . . . . 1.89 110.976 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 296' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 294' ' ' VAL . 34.9 t30 -146.81 34.83 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 0.78 . . . . 4.35 109.279 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.86 ' HA ' HG11 ' A' ' 310' ' ' VAL . 1.9 mtpt -140.23 168.05 20.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 5.4 109.318 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 298' ' ' ILE . . . . . 0.74 HG22 HG22 ' A' ' 293' ' ' THR . 2.2 pp -137.11 124.83 32.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.518 1.136 . . . . 3.18 109.331 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -85.87 127.15 34.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 2.33 111.058 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 300' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -97.98 116.94 31.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 2.71 111.03 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 301' ' ' PHE . . . . . 0.427 ' CE1' HD11 ' A' ' 321' ' ' ILE . 17.7 m-85 -112.97 147.89 36.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 2.14 111.082 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -128.84 -69.34 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 2.92 109.271 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -143.93 -68.13 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 3.21 109.343 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.87 -61.01 1.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 3.86 110.261 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -80.85 171.95 14.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.451 1.094 . . . . 4.04 111.024 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 306' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -142.8 158.97 43.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 1.8 111.006 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 307' ' ' TRP . . . . . 0.829 ' CD1' HD21 ' A' ' 281' ' ' LEU . 9.0 m-90 -109.27 147.48 32.56 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.009 -1.108 . . . . 4.39 108.009 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 8.8 tp -138.73 99.37 3.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 2.48 109.29 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -154.91 106.31 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 3.22 109.279 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 310' ' ' VAL . . . . . 0.86 HG11 ' HA ' ' A' ' 297' ' ' LYS . 1.6 p -163.69 176.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 3.58 109.291 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 311' ' ' SER . . . . . 0.514 ' H ' HG22 ' A' ' 310' ' ' VAL . 9.3 t 64.58 -81.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 4.73 110.027 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -154.82 72.65 0.85 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 6.09 110.323 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.99 146.3 32.86 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.525 1.14 . . . . 5.08 110.301 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -51.67 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 2.04 111.037 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 24.5 ttpt -145.22 163.31 34.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 3.31 109.277 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 316' ' ' THR . . . . . 0.447 HG21 HD22 ' A' ' 281' ' ' LEU . 61.3 p -76.15 177.96 6.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.08 . . . . 1.72 110.451 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.34 175.52 10.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 1.86 110.019 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 318' ' ' VAL . . . . . 0.54 HG12 ' CE2' ' A' ' 307' ' ' TRP . 2.2 m -145.45 83.72 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 2.89 109.317 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -101.93 165.99 10.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 2.53 109.324 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 61.7 tp -108.46 134.69 50.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 2.39 109.262 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 321' ' ' ILE . . . . . 0.427 HD11 ' CE1' ' A' ' 301' ' ' PHE . 2.3 mt -60.79 -68.11 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 1.7 109.301 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 322' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 321' ' ' ILE . 8.6 m -36.69 -42.99 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 2.21 110.04 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 323' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 322' ' ' SER . 3.4 t -38.39 -36.05 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 1.58 109.989 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 4.5 mp -107.29 -74.22 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.177 . . . . 2.3 109.348 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 325' ' ' TRP . . . . . 0.676 ' HB3' HD23 ' A' ' 328' ' ' LEU . 5.3 m-90 -55.79 130.58 72.27 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 3.33 107.994 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -77.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 2.11 110.973 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 327' ' ' THR . . . . . 0.916 ' O ' HD22 ' A' ' 328' ' ' LEU . 10.2 t -85.99 87.55 7.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 1.86 110.371 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.916 HD22 ' O ' ' A' ' 327' ' ' THR . 1.8 mm? -142.48 132.32 12.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 1.27 109.358 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 329' ' ' PRO . . . . . 0.495 ' HD2' HD13 ' A' ' 328' ' ' LEU . 18.1 Cg_endo -75.02 -30.42 7.16 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 2.61 110.929 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 7.2 p 60.33 -169.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 2.63 109.987 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 49.08 22.7 3.32 Favored Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.432 1.083 . . . . 1.56 111.023 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.786 HD13 HD12 ' A' ' 346' ' ' LEU . 1.7 mp -50.06 136.52 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.756 . . . . 1.81 109.286 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 333' ' ' GLU . . . . . 0.434 ' C ' ' HB2' ' A' ' 290' ' ' ALA . 35.7 mt-10 -89.0 -33.92 17.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 2.69 110.279 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 334' ' ' ALA . . . . . 0.411 ' HB1' ' CB ' ' A' ' 383' ' ' ALA . . . -132.61 107.42 8.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.85 109.313 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -114.55 121.34 43.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 1.07 109.226 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 336' ' ' TYR . . . . . 0.521 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 35.2 p90 -137.89 116.0 11.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 4.02 110.976 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.27 178.72 6.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 3.84 110.325 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 338' ' ' ILE . . . . . 0.568 ' O ' HG23 ' A' ' 338' ' ' ILE . 0.1 OUTLIER -150.62 105.46 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 3.62 109.319 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.15 83.98 7.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 3.31 110.32 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -160.44 -60.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 1.63 109.318 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 341' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 342' ' ' ASN . 7.9 ptp180 -91.44 -12.31 35.09 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.093 . . . . 5.48 110.365 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 342' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 341' ' ' ARG . 2.0 t-20 77.64 51.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 3.58 109.267 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -136.07 142.4 44.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 2.68 110.33 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 344' ' ' VAL . . . . . 0.455 HG12 ' CD2' ' A' ' 346' ' ' LEU . 11.1 t -106.35 151.51 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.522 1.139 . . . . 1.37 109.297 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 345' ' ' PHE . . . . . 0.795 ' C ' HD22 ' A' ' 346' ' ' LEU . 1.0 OUTLIER -131.21 130.32 42.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 2.59 110.978 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 0.795 HD22 ' C ' ' A' ' 345' ' ' PHE . 4.0 mm? -131.91 114.65 14.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 1.47 109.266 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 347' ' ' PHE . . . . . 0.855 ' CZ ' HD12 ' A' ' 380' ' ' ILE . 3.3 t80 -99.3 152.73 19.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 6.49 111.039 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 348' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.6 128.5 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 5.1 109.236 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 6.0 t0 56.65 -150.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 2.91 109.284 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 350' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -89.89 40.27 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 4.08 109.334 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.413 ' HD2' ' CZ3' ' A' ' 353' ' ' TRP . 1.3 mttp -154.76 151.95 29.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 1.63 109.306 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 352' ' ' TYR . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 366' ' ' LYS . 3.6 p90 -141.54 114.55 8.62 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.49 1.119 . . . . 2.83 111.015 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 353' ' ' TRP . . . . . 0.649 ' CH2' ' HA ' ' A' ' 365' ' ' PRO . 0.6 OUTLIER -87.14 158.5 19.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 4.48 108.008 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 354' ' ' LEU . . . . . 0.672 HD23 ' CE2' ' A' ' 364' ' ' TYR . 0.3 OUTLIER -124.63 148.98 47.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 2.19 109.328 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.577 ' N ' HD12 ' A' ' 354' ' ' LEU . 6.4 mt -135.99 135.27 50.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 1.58 109.325 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 356' ' ' SER . . . . . 0.418 ' O ' ' CB ' ' A' ' 357' ' ' ASN . 1.7 t -113.2 106.48 14.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 1.98 109.991 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 357' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 356' ' ' SER . 0.7 OUTLIER 76.49 -59.66 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 4.96 109.303 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 358' ' ' LEU . . . . . 0.437 ' O ' HG23 ' A' ' 355' ' ' ILE . 0.3 OUTLIER -161.22 -59.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 3.74 109.271 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.16 123.09 87.49 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 4.12 110.296 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 360' ' ' PRO . . . . . 0.496 ' HG2' HG22 ' A' ' 327' ' ' THR . 18.3 Cg_endo -75.03 -178.94 4.53 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.561 1.821 . . . . 1.83 111.011 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -79.36 161.51 67.24 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 2.91 110.3 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 362' ' ' PRO . . . . . 0.484 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.2 Cg_endo -75.07 64.36 6.11 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.548 1.815 . . . . 2.62 110.963 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 363' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 0.7 OUTLIER 80.33 109.51 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.081 . . . . 3.91 109.219 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 364' ' ' TYR . . . . . 0.672 ' CE2' HD23 ' A' ' 354' ' ' LEU . 0.9 OUTLIER -130.04 65.3 75.07 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.159 . . . . 3.27 111.001 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 365' ' ' PRO . . . . . 0.649 ' HA ' ' CH2' ' A' ' 353' ' ' TRP . 18.5 Cg_endo -75.05 70.48 5.32 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.543 1.812 . . . . 2.1 111.052 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 366' ' ' LYS . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 352' ' ' TYR . 6.9 mmtt -83.81 173.33 11.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 1.89 109.331 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.84 131.09 37.01 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 2.13 110.019 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 35.7 pt -63.72 -41.67 93.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 1.65 109.3 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.39 -32.03 56.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 2.89 109.611 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.72 -7.92 38.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 2.66 109.963 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -156.93 45.26 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 5.58 110.975 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 372' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -162.4 -51.05 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.49 1.119 . . . . 3.47 111.022 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 373' ' ' PHE . . . . . 0.458 ' N ' ' HD3' ' A' ' 374' ' ' PRO . 1.6 t80 37.36 61.01 3.94 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.407 0.71 . . . . 7.63 110.928 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 374' ' ' PRO . . . . . 0.458 ' HD3' ' N ' ' A' ' 373' ' ' PHE . 18.2 Cg_endo -75.0 -162.75 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.768 . . . . 2.43 110.995 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -86.66 -26.14 24.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 6.7 109.276 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 169.17 80.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.59 1.181 . . . . 4.9 110.972 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 377' ' ' VAL . . . . . 0.451 HG22 ' N ' ' A' ' 378' ' ' LYS . 13.5 p -88.82 165.64 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 2.25 109.28 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 378' ' ' LYS . . . . . 0.451 ' N ' HG22 ' A' ' 377' ' ' VAL . 0.4 OUTLIER -174.36 -45.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.148 . . . . 3.12 109.363 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 379' ' ' LYS . . . . . 0.559 ' O ' HG23 ' A' ' 396' ' ' VAL . 0.0 OUTLIER -147.99 134.81 20.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 1.99 109.348 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 380' ' ' ILE . . . . . 0.855 HD12 ' CZ ' ' A' ' 347' ' ' PHE . 25.9 mt -101.58 147.23 8.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.515 1.134 . . . . 1.04 109.34 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 381' ' ' ASP . . . . . 0.402 ' CG ' ' O ' ' A' ' 429' ' ' ILE . 6.0 m-20 -79.71 -50.06 11.16 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.581 1.176 . . . . 2.26 109.336 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 382' ' ' ALA . . . . . 0.788 ' HB2' ' HA ' ' A' ' 431' ' ' ALA . . . -158.18 168.78 26.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.84 109.317 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 383' ' ' ALA . . . . . 0.411 ' CB ' ' HB1' ' A' ' 334' ' ' ALA . . . -152.21 133.54 14.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.99 109.268 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 4.1 p -144.75 154.58 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 2.2 109.32 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -98.6 151.43 20.69 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.587 1.18 . . . . 1.82 111.056 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -122.38 110.1 32.59 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 2.58 109.222 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -9.99 20.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 1.76 110.907 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 1.5 tpt85 -73.59 -49.24 27.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 2.12 110.256 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -119.2 18.05 13.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 3.85 110.94 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 390' ' ' TYR . . . . . 0.432 ' CB ' ' HB3' ' A' ' 406' ' ' ARG . 24.8 m-85 43.68 36.14 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 3.46 110.998 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -108.97 178.61 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 2.92 110.321 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 52.7 m -134.5 134.56 41.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.87 110.422 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -95.52 127.83 41.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 2.45 111.033 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -123.36 117.82 26.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 2.27 110.975 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 395' ' ' PHE . . . . . 0.664 ' O ' HG23 ' A' ' 380' ' ' ILE . 65.1 m-85 -100.61 131.0 46.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 1.39 111.001 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 396' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 379' ' ' LYS . 14.5 p -145.99 133.03 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 3.03 109.295 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 48.42 -152.28 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 3.88 109.299 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -88.13 45.85 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 3.51 109.355 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 399' ' ' GLN . . . . . 0.448 ' HB3' ' CZ3' ' A' ' 401' ' ' TRP . 0.1 OUTLIER -145.36 179.81 7.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 3.77 110.269 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 400' ' ' TYR . . . . . 0.594 ' CE1' ' O ' ' A' ' 401' ' ' TRP . 8.1 t80 -141.17 151.48 43.88 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.447 1.092 . . . . 2.7 110.952 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 401' ' ' TRP . . . . . 0.594 ' O ' ' CE1' ' A' ' 400' ' ' TYR . 2.6 m-90 -139.95 165.02 28.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 5.49 108.007 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -149.26 108.45 3.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 2.65 110.299 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -95.89 152.68 18.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.411 1.069 . . . . 5.26 110.944 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.56 119.73 38.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 2.1 109.266 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.58 -33.9 14.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 3.36 110.247 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 406' ' ' ARG . . . . . 0.432 ' HB3' ' CB ' ' A' ' 390' ' ' TYR . 1.6 ppt_? -71.18 -34.4 70.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 6.11 110.319 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 407' ' ' ARG . . . . . 0.461 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.0 OUTLIER -91.14 -40.89 11.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 2.63 110.237 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 408' ' ' GLN . . . . . 0.461 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 5.3 tt0 83.57 40.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.097 . . . . 2.73 110.325 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 2.9 tpp -154.68 110.23 3.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 2.07 110.933 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.53 140.04 14.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 2.62 111.009 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.69 140.74 47.9 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 2.89 109.289 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 107.83 2.57 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.512 1.796 . . . . 3.28 110.946 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 47.86 93.02 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 2.36 110.986 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 414' ' ' TYR . . . . . 0.527 ' CZ ' ' HG3' ' A' ' 416' ' ' LYS . 80.5 t80 -134.52 61.7 50.53 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 4.34 111.007 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 415' ' ' PRO . . . . . 0.439 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -74.99 78.26 2.94 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.546 1.814 . . . . 1.45 111.024 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 416' ' ' LYS . . . . . 0.527 ' HG3' ' CZ ' ' A' ' 414' ' ' TYR . 48.9 mmtt -100.57 -175.95 3.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 2.44 109.288 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.74 157.24 45.43 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.526 1.141 . . . . 2.12 109.352 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.477 HG12 ' CD1' ' A' ' 395' ' ' PHE . 2.6 mp -60.11 -65.14 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 1.37 109.263 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.31 -17.23 41.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 1.46 110.427 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -70.82 -72.52 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 2.4 109.305 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -70.26 -53.4 17.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 2.05 109.318 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 422' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -98.05 103.85 15.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 4.38 110.96 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -85.64 156.11 20.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 4.12 110.276 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 92.25 -33.56 4.86 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.525 1.141 . . . . 1.67 110.928 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 425' ' ' ILE . . . . . 0.79 ' CG2' HD13 ' A' ' 429' ' ' ILE . 4.3 mm -62.63 -72.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 0.771 . . . . 2.96 109.292 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 142.36 -175.37 22.86 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 1.32 110.969 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -40.72 0.85 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.551 1.816 . . . . 1.75 111.066 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -117.64 130.35 56.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 2.7 109.289 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 429' ' ' ILE . . . . . 0.79 HD13 ' CG2' ' A' ' 425' ' ' ILE . 7.1 tp -116.24 139.78 41.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 1.88 109.347 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.77 -83.56 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 2.71 109.251 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.788 ' HA ' ' HB2' ' A' ' 382' ' ' ALA . . . -129.94 166.11 20.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 0.91 109.334 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.674 HG21 ' CE2' ' A' ' 442' ' ' PHE . 2.9 p -160.03 150.43 6.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 1.9 109.271 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 433' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 441' ' ' TYR . 4.6 p90 -148.64 166.12 29.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 3.6 110.968 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 434' ' ' TYR . . . . . 0.702 ' O ' HG21 ' A' ' 293' ' ' THR . 6.9 t80 -114.3 112.34 22.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 3.38 110.999 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 435' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 436' ' ' LYS . 60.5 p -134.39 83.42 2.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 3.31 110.037 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 436' ' ' LYS . . . . . 0.524 ' HD3' ' CD1' ' A' ' 439' ' ' TYR . 1.8 mttt 169.82 -162.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 5.26 109.303 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -95.21 -34.07 12.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 4.71 109.314 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 438' ' ' LYS . . . . . 0.511 ' CE ' ' HA ' ' A' ' 438' ' ' LYS . 0.0 OUTLIER -161.36 62.6 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.123 . . . . 3.92 109.273 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 439' ' ' TYR . . . . . 0.524 ' CD1' ' HD3' ' A' ' 436' ' ' LYS . 3.1 m-85 -146.96 163.19 36.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 2.94 111.05 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 440' ' ' TYR . . . . . 0.552 ' HB3' ' CE1' ' A' ' 442' ' ' PHE . 52.0 m-85 -132.02 125.37 31.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.176 . . . . 3.51 111.021 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 441' ' ' TYR . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 433' ' ' PHE . 26.9 m-85 -105.02 106.01 16.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 2.68 111.033 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 442' ' ' PHE . . . . . 0.674 ' CE2' HG21 ' A' ' 432' ' ' VAL . 90.5 m-85 -99.71 164.76 11.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 3.35 110.983 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 443' ' ' PHE . . . . . 0.594 ' HD2' ' HB3' ' A' ' 431' ' ' ALA . 0.1 OUTLIER -144.81 139.59 27.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 5.73 111.032 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 444' ' ' GLN . . . . . 0.418 ' N ' ' CD1' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -158.05 97.59 1.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 3.74 110.348 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 107.51 -69.07 0.22 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 1.95 111.003 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 1.3 m 179.3 41.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 2.71 110.001 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -147.22 132.94 18.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 3.43 109.256 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 448' ' ' GLN . . . . . 0.469 ' O ' ' CD2' ' A' ' 462' ' ' LEU . 1.8 pt20 -118.14 85.33 2.33 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.511 1.132 . . . . 3.89 110.256 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 449' ' ' PHE . . . . . 0.568 ' HB2' HG23 ' A' ' 458' ' ' ILE . 33.1 p90 -81.93 165.28 20.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 5.31 110.97 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 0.516 ' HG3' ' CE2' ' A' ' 441' ' ' TYR . 0.1 OUTLIER -98.52 164.08 12.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 3.86 110.289 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -152.42 126.45 9.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 2.74 110.978 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 452' ' ' ASP . . . . . 0.485 ' HB3' HD23 ' A' ' 455' ' ' LEU . 7.8 t0 -99.4 128.93 45.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 3.78 109.26 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -78.25 4.98 11.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 4.49 110.98 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 45.0 tp -89.17 5.69 43.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.435 1.084 . . . . 4.12 109.272 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.555 HD11 ' HB2' ' A' ' 457' ' ' ARG . 0.7 OUTLIER -171.72 -38.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 3.36 109.277 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 456' ' ' GLN . . . . . 0.475 ' CB ' ' O ' ' A' ' 455' ' ' LEU . 1.6 mt-30 84.26 64.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 3.53 110.288 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 457' ' ' ARG . . . . . 0.555 ' HB2' HD11 ' A' ' 455' ' ' LEU . 0.1 OUTLIER -146.1 143.67 29.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 6.26 110.302 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 458' ' ' ILE . . . . . 0.568 HG23 ' HB2' ' A' ' 449' ' ' PHE . 91.5 mt -80.49 137.44 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 2.25 109.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 34.7 p -120.19 -42.52 2.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 2.74 110.399 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt -109.44 141.51 41.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 4.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 21.8 p -142.31 78.65 1.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 1.96 110.408 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 462' ' ' LEU . . . . . 0.469 ' CD2' ' O ' ' A' ' 448' ' ' GLN . 1.9 pt? -97.42 172.2 7.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.084 . . . . 1.89 109.322 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -95.03 144.75 25.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 3.14 109.301 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 464' ' ' SER . . . . . 0.4 ' OG ' ' CE2' ' A' ' 288' ' ' PHE . 4.0 t -40.79 -43.78 2.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 1.98 109.989 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -99.11 70.74 1.8 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.516 1.135 . . . . 4.13 109.277 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 9.1 t -110.65 -20.56 12.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 2.55 109.965 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -91.16 -47.72 7.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 5.34 108.015 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 468' ' ' PHE . . . . . 0.591 ' CZ ' ' O ' ' A' ' 281' ' ' LEU . 9.2 t80 -39.87 -37.62 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 7.23 111.067 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 120.68 36.4 0.78 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.441 1.088 . . . . 2.48 111.003 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 470' ' ' CYS . . . . . 1.103 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 N-CA-C 108.284 -1.006 . . . . 3.57 108.284 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 471' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 277' ' ' MET . . . . . . . . . . . . . 5.3 mtt . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.523 0.202 . . . . 10.61 111.053 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.89 165.76 0.25 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 7.27 110.335 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 279' ' ' PRO . . . . . 0.589 ' HA ' HD22 ' A' ' 286' ' ' LEU . 18.1 Cg_endo -75.05 53.64 3.42 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.515 1.797 . . . . 5.1 110.969 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 280' ' ' ALA . . . . . 0.613 ' O ' HD21 ' A' ' 286' ' ' LEU . . . -60.62 131.37 50.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 3.37 109.259 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 281' ' ' LEU . . . . . 0.615 HD23 ' CH2' ' A' ' 307' ' ' TRP . 1.0 OUTLIER -74.34 -42.57 59.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 3.24 109.305 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 282' ' ' CYS . . . . . 1.151 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 53.2 m -84.38 69.31 10.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 3.16 108.25 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -177.31 110.06 0.23 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 4.17 109.325 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 60.89 5.57 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.405 1.74 . . . . 1.99 111.046 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -161.92 48.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 4.86 109.242 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 286' ' ' LEU . . . . . 0.613 HD21 ' O ' ' A' ' 280' ' ' ALA . 14.6 mt -93.32 128.38 39.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 3.55 109.312 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 287' ' ' SER . . . . . 0.408 ' O ' ' CE ' ' A' ' 302' ' ' LYS . 2.8 t -115.29 148.38 39.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 2.85 109.996 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 288' ' ' PHE . . . . . 0.521 ' CD1' ' CD2' ' A' ' 443' ' ' PHE . 21.4 m-85 -121.42 168.15 12.0 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.566 1.166 . . . . 2.51 111.053 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 289' ' ' ASP . . . . . 0.645 ' O ' ' HB2' ' A' ' 431' ' ' ALA . 5.0 m-20 -126.09 -53.21 1.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.579 1.174 . . . . 3.24 109.242 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -137.85 137.15 37.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.81 109.259 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 291' ' ' VAL . . . . . 0.724 HG11 ' CE1' ' A' ' 443' ' ' PHE . 6.1 m -135.46 135.68 51.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 2.14 109.338 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 11.8 t -155.29 153.4 30.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 1.24 110.413 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 293' ' ' THR . . . . . 0.544 HG22 ' CE2' ' A' ' 433' ' ' PHE . 10.5 t -131.82 158.32 41.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 3.16 110.35 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 70.9 t -147.96 95.86 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 1.97 109.379 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 88.29 -118.01 4.97 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 1.75 110.983 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -107.54 5.67 27.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 4.94 109.31 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.811 ' HA ' HG11 ' A' ' 310' ' ' VAL . 1.4 mtpp -110.37 136.44 49.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 2.97 109.255 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 298' ' ' ILE . . . . . 0.637 HD12 ' CZ ' ' A' ' 300' ' ' PHE . 16.5 pt -112.57 129.74 67.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 2.2 109.293 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -106.28 126.73 52.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 2.56 111.031 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 300' ' ' PHE . . . . . 0.637 ' CZ ' HD12 ' A' ' 298' ' ' ILE . 24.4 m-85 -119.32 119.56 34.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 2.77 110.98 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -96.0 134.46 39.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 1.99 110.989 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 302' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 304' ' ' ARG . 0.0 OUTLIER -131.9 89.24 2.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 2.94 109.274 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 56.71 -87.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 4.67 109.324 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 304' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 302' ' ' LYS . 0.2 OUTLIER -118.39 -19.89 8.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 4.43 110.291 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 305' ' ' PHE . . . . . 0.47 ' CD2' ' CG1' ' A' ' 318' ' ' VAL . 2.6 m-85 -87.45 140.18 29.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 4.67 110.988 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 306' ' ' PHE . . . . . 0.438 ' CB ' ' O ' ' A' ' 319' ' ' ASN . 0.5 OUTLIER -106.2 108.99 20.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 4.56 110.974 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 307' ' ' TRP . . . . . 0.615 ' CH2' HD23 ' A' ' 281' ' ' LEU . 0.0 OUTLIER -84.27 138.67 32.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 5.96 108.008 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 316' ' ' THR . 13.0 tp -143.3 127.54 17.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 2.74 109.338 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 309' ' ' LYS . . . . . 0.458 ' CE ' ' HA ' ' A' ' 468' ' ' PHE . 3.7 tptt -153.76 93.89 1.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 2.43 109.326 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 310' ' ' VAL . . . . . 0.811 HG11 ' HA ' ' A' ' 297' ' ' LYS . 1.2 p -174.33 -179.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 2.89 109.35 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 311' ' ' SER . . . . . 0.548 ' H ' HG22 ' A' ' 310' ' ' VAL . 11.6 t 44.41 88.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 5.1 109.994 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 312' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 311' ' ' SER . 2.1 tt0 37.03 73.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 5.44 110.335 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.07 118.86 19.54 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 4.61 110.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -33.03 4.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.526 1.803 . . . . 2.13 111.007 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -143.15 168.11 20.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 4.35 109.308 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 316' ' ' THR . . . . . 0.645 HG22 ' CD1' ' A' ' 468' ' ' PHE . 12.7 p -75.3 170.1 16.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 1.5 110.419 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.52 172.08 11.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 1.95 110.002 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 318' ' ' VAL . . . . . 0.47 ' CG1' ' CD2' ' A' ' 305' ' ' PHE . 40.4 t -132.22 94.15 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 1.96 109.251 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 319' ' ' ASN . . . . . 0.438 ' O ' ' CB ' ' A' ' 306' ' ' PHE . 1.1 m-80 -103.61 -179.95 4.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 3.48 109.277 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.45 ' HB3' ' CB ' ' A' ' 323' ' ' SER . 0.1 OUTLIER -136.77 139.33 41.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 2.28 109.28 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 321' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 324' ' ' LEU . 3.9 mp -59.13 -73.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 1.31 109.241 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 5.6 m -44.92 -39.68 5.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 2.58 109.983 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 323' ' ' SER . . . . . 0.45 ' CB ' ' HB3' ' A' ' 320' ' ' LEU . 29.1 t -55.42 -36.03 66.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 1.3 110.097 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 324' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 321' ' ' ILE . 4.1 mm? -102.81 -79.78 0.52 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 3.37 109.311 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 325' ' ' TRP . . . . . 0.427 ' HE3' HG23 ' A' ' 321' ' ' ILE . 1.4 m0 -52.09 151.54 6.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 1.52 108.007 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -89.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.483 1.78 . . . . 1.09 110.998 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 327' ' ' THR . . . . . 0.957 ' O ' HD22 ' A' ' 328' ' ' LEU . 1.2 m -93.88 91.22 6.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 2.42 110.35 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.957 HD22 ' O ' ' A' ' 327' ' ' THR . 1.5 mm? -145.41 130.79 9.28 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 1.4 109.255 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 329' ' ' PRO . . . . . 0.517 ' HD2' HD13 ' A' ' 328' ' ' LEU . 18.3 Cg_endo -75.02 176.83 9.4 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.446 1.761 . . . . 1.94 110.972 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 4.7 m -115.19 154.08 29.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 2.24 110.009 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 74.53 49.15 11.83 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.107 . . . . 1.41 110.946 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.4 HG21 ' HB2' ' A' ' 335' ' ' ALA . 14.5 mt -49.11 136.48 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.447 0.733 . . . . 1.85 109.287 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -85.0 -40.72 16.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 2.62 110.303 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 334' ' ' ALA . . . . . 0.728 ' HB1' ' HB3' ' A' ' 383' ' ' ALA . . . -160.63 133.4 6.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.99 109.329 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 335' ' ' ALA . . . . . 0.4 ' HB2' HG21 ' A' ' 332' ' ' ILE . . . -132.34 142.53 49.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.09 109.19 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 336' ' ' TYR . . . . . 0.538 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 3.9 p90 -154.9 126.69 7.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 2.9 111.036 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 337' ' ' GLU . . . . . 0.748 ' HG2' HG22 ' A' ' 344' ' ' VAL . 1.8 mp0 -110.67 151.85 27.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 5.28 110.302 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 338' ' ' ILE . . . . . 0.526 HD12 ' CE2' ' A' ' 385' ' ' PHE . 11.4 mm -129.97 115.85 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 3.48 109.257 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -62.59 -39.32 93.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 3.45 110.338 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -57.29 -52.07 66.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 1.8 109.298 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.65 -24.76 58.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.586 1.179 . . . . 5.57 110.31 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 1.2 t30 59.61 39.23 21.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 2.68 109.237 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -124.87 177.77 5.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 2.7 110.356 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 344' ' ' VAL . . . . . 0.748 HG22 ' HG2' ' A' ' 337' ' ' GLU . 52.2 t -143.32 117.33 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 1.37 109.385 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 345' ' ' PHE . . . . . 0.473 ' HB2' ' CE1' ' A' ' 336' ' ' TYR . 8.4 m-85 -109.62 134.92 51.37 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.119 . . . . 2.76 110.987 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 0.52 HD23 HD12 ' A' ' 328' ' ' LEU . 0.7 OUTLIER -132.23 124.57 29.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 2.33 109.324 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 347' ' ' PHE . . . . . 0.468 ' CE2' ' CE1' ' A' ' 352' ' ' TYR . 6.1 m-85 -99.11 141.1 32.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 2.74 111.046 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 348' ' ' LYS . . . . . 0.441 ' HG2' ' CB ' ' A' ' 329' ' ' PRO . 0.0 OUTLIER -153.54 114.1 4.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 3.48 109.308 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 3.1 t0 50.15 -149.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 3.34 109.232 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 350' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 1.9 p-10 -86.25 40.44 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 3.69 109.316 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -141.26 140.7 33.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 2.67 109.297 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 352' ' ' TYR . . . . . 0.484 ' CE2' HG22 ' A' ' 368' ' ' ILE . 0.1 OUTLIER -102.59 152.45 21.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 5.26 111.053 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -155.63 127.06 7.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 4.15 108.064 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 354' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 355' ' ' ILE . 0.1 OUTLIER -126.84 135.04 50.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 2.41 109.283 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.57 HD11 HD21 ' A' ' 328' ' ' LEU . 3.3 mp -96.67 109.63 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 1.51 109.31 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 356' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 358' ' ' LEU . 11.1 t -89.73 106.63 18.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 1.71 109.966 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 68.82 -65.35 0.29 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 3.88 109.257 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 358' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 356' ' ' SER . 0.2 OUTLIER -144.15 -52.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 5.26 109.343 179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 2.1 tpt85 -93.14 128.03 44.71 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 7.12 110.333 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 360' ' ' PRO . . . . . 0.47 ' HG3' ' CD2' ' A' ' 328' ' ' LEU . 18.0 Cg_endo -74.99 -171.36 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.512 1.796 . . . . 1.44 110.983 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -79.73 126.32 80.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 2.34 110.348 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 362' ' ' PRO . . . . . 0.569 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.3 Cg_endo -74.91 91.07 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 1.87 110.995 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 363' ' ' ASN . . . . . 0.569 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 2.1 t-20 87.03 73.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 4.11 109.349 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 364' ' ' TYR . . . . . 0.576 ' CE2' ' HD3' ' A' ' 366' ' ' LYS . 0.2 OUTLIER -135.08 57.01 18.35 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 3.18 110.993 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 365' ' ' PRO . . . . . 0.539 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -75.01 54.77 3.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.549 1.815 . . . . 1.63 111.004 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 366' ' ' LYS . . . . . 0.576 ' HD3' ' CE2' ' A' ' 364' ' ' TYR . 0.2 OUTLIER -51.61 144.94 9.81 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.459 1.099 . . . . 1.78 109.284 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 367' ' ' SER . . . . . 0.408 ' HB2' ' ND1' ' A' ' 369' ' ' HIS . 51.6 p -95.33 109.65 21.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 4.25 109.961 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 368' ' ' ILE . . . . . 0.484 HG22 ' CE2' ' A' ' 352' ' ' TYR . 5.0 pt -51.64 -22.02 2.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 1.58 109.308 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 369' ' ' HIS . . . . . 0.476 ' C ' ' CD2' ' A' ' 369' ' ' HIS . 0.4 OUTLIER -65.53 -14.48 61.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 3.86 109.593 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 370' ' ' SER . . . . . 0.534 ' O ' ' CD2' ' A' ' 371' ' ' PHE . 17.7 t -66.83 -15.21 63.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 4.37 109.986 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 371' ' ' PHE . . . . . 0.534 ' CD2' ' O ' ' A' ' 370' ' ' SER . 0.3 OUTLIER 161.44 -27.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 6.59 110.961 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 372' ' ' GLY . . . . . 0.579 ' O ' ' CD2' ' A' ' 373' ' ' PHE . . . -62.94 -12.51 43.24 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.597 1.185 . . . . 6.97 111.038 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 373' ' ' PHE . . . . . 0.579 ' CD2' ' O ' ' A' ' 372' ' ' GLY . 7.1 m-85 -177.66 168.93 1.06 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.5 0.765 . . . . 12.13 110.932 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 374' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -178.2 3.99 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.471 1.774 . . . . 4.86 111.015 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -86.8 73.58 9.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 9.42 109.356 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -178.34 -49.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 4.96 110.991 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 377' ' ' VAL . . . . . 0.561 HG21 ' CD1' ' A' ' 373' ' ' PHE . 4.4 t -43.87 163.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 2.19 109.275 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 378' ' ' LYS . . . . . 0.495 ' N ' ' CG1' ' A' ' 377' ' ' VAL . 7.9 mtpt -170.4 -40.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 3.84 109.317 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 9.6 pttt -124.61 119.52 29.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 2.16 109.27 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 380' ' ' ILE . . . . . 0.545 HG12 ' CZ ' ' A' ' 373' ' ' PHE . 1.7 mt -100.14 155.84 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 1.38 109.288 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.33 -46.58 7.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 2.32 109.246 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -163.88 162.49 23.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 1.19 109.287 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 383' ' ' ALA . . . . . 0.728 ' HB3' ' HB1' ' A' ' 334' ' ' ALA . . . -148.98 132.54 16.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 1.22 109.306 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 384' ' ' VAL . . . . . 0.567 HG12 ' HB2' ' A' ' 393' ' ' TYR . 10.2 p -132.03 153.48 38.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 2.81 109.307 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 385' ' ' PHE . . . . . 0.526 ' CE2' HD12 ' A' ' 338' ' ' ILE . 18.6 t80 -122.56 145.85 47.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 1.95 110.978 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -126.33 111.32 23.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 2.61 109.278 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -13.73 21.43 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.492 1.785 . . . . 1.81 110.989 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 2.4 tpt85 -82.75 -37.19 24.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 2.52 110.312 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -103.13 -6.2 22.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 2.64 110.964 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 53.73 42.66 31.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 3.03 110.99 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -144.49 142.71 30.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 3.17 110.281 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 4.8 m -110.02 123.42 49.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.99 110.415 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 393' ' ' TYR . . . . . 0.567 ' HB2' HG12 ' A' ' 384' ' ' VAL . 3.2 m-30 -83.27 134.61 34.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 1.68 110.962 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -121.59 108.55 13.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 1.94 111.013 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 395' ' ' PHE . . . . . 0.622 ' CD1' HG23 ' A' ' 418' ' ' ILE . 42.4 m-85 -88.87 122.49 32.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 1.09 111.008 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 396' ' ' VAL . . . . . 0.806 HG12 ' OD2' ' A' ' 397' ' ' ASP . 67.1 t -138.17 124.51 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 1.73 109.341 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 397' ' ' ASP . . . . . 0.806 ' OD2' HG12 ' A' ' 396' ' ' VAL . 0.5 OUTLIER 51.81 -152.92 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 3.5 109.351 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -85.22 49.86 1.83 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 4.12 109.334 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.15 169.64 20.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 2.78 110.274 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -137.64 145.53 42.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 2.89 111.027 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -130.22 174.19 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.969 -1.123 . . . . 4.56 107.969 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -152.82 115.3 4.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.098 . . . . 4.3 110.349 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 403' ' ' TYR . . . . . 0.464 ' CE2' ' OE2' ' A' ' 405' ' ' GLU . 9.5 t80 -106.71 139.19 41.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 5.26 110.998 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -88.4 139.82 30.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.431 1.082 . . . . 2.75 109.297 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 405' ' ' GLU . . . . . 0.464 ' OE2' ' CE2' ' A' ' 403' ' ' TYR . 17.9 mm-40 -104.76 -43.59 5.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 3.81 110.287 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.23 -38.28 86.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 6.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 407' ' ' ARG . . . . . 0.414 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.2 OUTLIER -92.42 -40.6 10.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 3.88 110.296 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 408' ' ' GLN . . . . . 0.414 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 0.1 OUTLIER 80.45 32.52 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 3.54 110.309 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 15.4 ttt -132.29 107.21 8.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 4.61 110.96 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.74 150.74 40.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 2.07 111.021 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.37 170.22 3.94 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 3.85 109.267 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -65.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.549 1.815 . . . . 3.83 111.008 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . -120.04 -53.12 0.26 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.458 1.099 . . . . 3.6 111.012 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 414' ' ' TYR . . . . . 0.493 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 25.2 t80 40.0 62.96 5.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.747 . . . . 2.46 110.955 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 415' ' ' PRO . . . . . 0.425 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -75.0 80.32 2.46 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.485 1.782 . . . . 1.92 110.984 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 416' ' ' LYS . . . . . 0.493 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 19.7 mmtt -101.51 -173.4 2.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 2.83 109.264 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.0 mt -133.07 149.89 52.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 2.23 109.331 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.622 HG23 ' CD1' ' A' ' 395' ' ' PHE . 0.9 OUTLIER -68.79 -47.12 77.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 1.66 109.264 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 6.6 t -70.01 -25.29 63.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 1.32 110.332 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -69.8 -64.01 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 1.58 109.293 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -51.38 -54.75 23.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 2.32 109.331 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 422' ' ' PHE . . . . . 0.662 ' O ' HD11 ' A' ' 425' ' ' ILE . 43.6 m-85 -121.26 109.88 15.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 2.59 110.972 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -98.15 71.29 2.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 2.75 110.29 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 424' ' ' GLY . . . . . 0.725 ' CA ' HD11 ' A' ' 458' ' ' ILE . . . -160.79 24.49 0.26 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.132 . . . . 1.91 111.006 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 425' ' ' ILE . . . . . 0.782 ' N ' HD13 ' A' ' 425' ' ' ILE . 0.2 OUTLIER -147.24 -48.18 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.503 0.767 . . . . 2.17 109.279 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 426' ' ' GLY . . . . . 0.427 ' N ' HG12 ' A' ' 425' ' ' ILE . . . 130.34 179.67 16.22 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.453 1.095 . . . . 1.08 111.053 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 427' ' ' PRO . . . . . 0.469 ' O ' HD13 ' A' ' 418' ' ' ILE . 18.2 Cg_endo -74.99 -29.36 8.31 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.517 1.798 . . . . 1.46 110.974 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.17 139.3 47.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 2.47 109.23 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.33 167.46 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 1.92 109.294 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 430' ' ' ASP . . . . . 0.459 ' N ' ' OD1' ' A' ' 430' ' ' ASP . 0.2 OUTLIER -112.72 -50.52 2.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 2.93 109.346 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 289' ' ' ASP . . . -153.62 149.22 27.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.9 109.278 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.776 HG22 ' HB3' ' A' ' 442' ' ' PHE . 55.9 t -138.66 135.74 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.603 1.189 . . . . 3.19 109.285 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 433' ' ' PHE . . . . . 0.544 ' CE2' HG22 ' A' ' 293' ' ' THR . 11.5 t80 -153.61 176.53 11.97 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.504 1.127 . . . . 6.77 110.978 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 434' ' ' TYR . . . . . 0.612 ' O ' ' CD2' ' A' ' 434' ' ' TYR . 16.6 p90 -128.44 60.27 1.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 7.19 111.026 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 435' ' ' SER . . . . . 0.503 ' HB3' ' CE2' ' A' ' 433' ' ' PHE . 94.8 p -89.57 96.55 10.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 3.51 110.005 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 436' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? 173.37 -156.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 3.93 109.296 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -87.64 -28.96 21.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 3.39 109.277 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 438' ' ' LYS . . . . . 0.41 ' O ' ' CG ' ' A' ' 438' ' ' LYS . 0.0 OUTLIER 176.37 65.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 3.14 109.312 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -152.44 171.0 18.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 2.3 111.046 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -119.69 118.18 30.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 3.36 110.977 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 441' ' ' TYR . . . . . 0.552 ' CD1' ' HG3' ' A' ' 450' ' ' GLU . 0.9 OUTLIER -107.68 129.97 54.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 2.18 111.002 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 442' ' ' PHE . . . . . 0.776 ' HB3' HG22 ' A' ' 432' ' ' VAL . 0.1 OUTLIER -138.16 163.37 31.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 4.79 110.978 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 443' ' ' PHE . . . . . 0.724 ' CE1' HG11 ' A' ' 291' ' ' VAL . 44.2 m-85 -123.03 123.67 41.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 4.4 110.989 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 444' ' ' GLN . . . . . 0.418 ' O ' ' ND2' ' A' ' 447' ' ' ASN . 0.1 OUTLIER -135.41 60.05 1.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 3.73 110.317 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 445' ' ' GLY . . . . . 0.401 ' O ' ' ND2' ' A' ' 447' ' ' ASN . . . 89.89 82.88 1.35 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.566 1.167 . . . . 3.9 111.03 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 17.7 p 41.05 43.12 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.771 . . . . 2.18 110.047 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 447' ' ' ASN . . . . . 0.552 ' HB3' ' CD1' ' A' ' 449' ' ' PHE . 77.7 m-20 -132.88 110.18 10.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 1.97 109.325 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 448' ' ' GLN . . . . . 0.594 ' OE1' ' CZ ' ' A' ' 443' ' ' PHE . 6.7 tp60 -103.52 63.49 0.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 2.74 110.296 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 449' ' ' PHE . . . . . 0.552 ' CD1' ' HB3' ' A' ' 447' ' ' ASN . 8.9 m-85 -80.38 152.47 28.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 2.62 110.973 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 0.552 ' HG3' ' CD1' ' A' ' 441' ' ' TYR . 6.0 tt0 -116.43 163.08 16.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 3.78 110.306 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 451' ' ' TYR . . . . . 0.538 ' CE1' ' HA ' ' A' ' 456' ' ' GLN . 2.1 t80 -145.47 137.26 25.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 2.7 110.926 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -107.0 137.59 44.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 4.19 109.315 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -89.07 8.14 31.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 4.91 110.985 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 28.7 tp -107.85 -15.98 14.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 4.86 109.337 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.448 ' O ' ' CB ' ' A' ' 456' ' ' GLN . 67.6 mt -133.65 -44.35 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 3.84 109.28 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 456' ' ' GLN . . . . . 0.538 ' HA ' ' CE1' ' A' ' 451' ' ' TYR . 1.5 mt-30 82.43 34.79 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 3.48 110.331 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -117.34 178.56 4.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 4.13 110.358 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 458' ' ' ILE . . . . . 0.725 HD11 ' CA ' ' A' ' 424' ' ' GLY . 71.3 mt -113.33 114.52 47.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 1.69 109.281 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 12.2 p -114.21 12.7 17.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 3.23 110.444 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 460' ' ' LYS . . . . . 0.418 ' HD2' HD22 ' A' ' 462' ' ' LEU . 1.2 mmtt -146.79 125.07 12.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 3.06 109.279 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 461' ' ' THR . . . . . 0.721 HG22 ' O ' ' A' ' 461' ' ' THR . 1.4 m -141.94 59.57 1.48 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.469 1.106 . . . . 2.21 110.395 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 462' ' ' LEU . . . . . 0.696 HD12 ' HB3' ' A' ' 466' ' ' SER . 2.0 pt? -106.52 161.42 14.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 1.94 109.29 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -90.73 150.83 21.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 3.84 109.324 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -42.25 -37.32 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 1.81 110.035 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 49.4 p30 -87.63 59.64 5.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 3.76 109.284 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 466' ' ' SER . . . . . 0.696 ' HB3' HD12 ' A' ' 462' ' ' LEU . 22.7 t -139.87 50.57 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 2.55 109.999 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 467' ' ' TRP . . . . . 0.542 ' CG ' ' O ' ' A' ' 466' ' ' SER . 50.2 m95 -164.65 -44.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 4.16 107.994 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 468' ' ' PHE . . . . . 0.645 ' CD1' HG22 ' A' ' 316' ' ' THR . 9.2 m-85 -69.62 -30.0 67.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 6.31 110.988 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 109.79 61.76 0.51 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.492 1.12 . . . . 2.46 111.044 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 470' ' ' CYS . . . . . 1.151 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 N-CA-C 108.315 -0.994 . . . . 3.26 108.315 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 471' ' ' ' CA' . . . . . 0.594 'CA ' ' O ' ' A' ' 289' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 277' ' ' MET . . . . . 0.425 ' O ' ' C ' ' A' ' 278' ' ' GLU . 10.2 tmm? . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 120.525 0.203 . . . . 7.01 111.028 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 278' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 277' ' ' MET . 2.5 tp10 -37.17 100.86 0.21 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.417 1.073 . . . . 7.12 110.258 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 279' ' ' PRO . . . . . 0.522 ' O ' ' HB2' ' A' ' 280' ' ' ALA . 18.4 Cg_endo -75.1 -161.57 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 2.97 110.995 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 280' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 279' ' ' PRO . . . 174.24 107.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 3.57 109.292 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 281' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 282' ' ' CYS . 21.9 mt -97.03 59.95 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 2.77 109.262 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 282' ' ' CYS . . . . . 1.058 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 0.8 OUTLIER 160.95 48.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 2.6 108.32 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -175.47 130.33 0.41 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 3.19 109.319 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 84.71 1.62 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.458 1.767 . . . . 1.84 111.0 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -170.47 32.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 3.18 109.319 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 286' ' ' LEU . . . . . 0.597 HD11 ' CH2' ' A' ' 307' ' ' TRP . 0.3 OUTLIER -101.22 127.08 47.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 2.85 109.309 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.77 178.11 4.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.12 . . . . 3.12 109.995 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 288' ' ' PHE . . . . . 0.449 ' CD2' ' CD1' ' A' ' 443' ' ' PHE . 51.4 m-85 -147.06 143.85 28.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 2.14 111.044 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 289' ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' A' ' 431' ' ' ALA . 1.0 OUTLIER -104.2 -64.99 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 2.74 109.3 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 290' ' ' ALA . . . . . 0.445 ' HB3' ' HB2' ' A' ' 301' ' ' PHE . . . -132.26 139.89 48.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.87 109.307 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 291' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 299' ' ' PHE . 2.8 p -147.34 140.32 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 2.45 109.278 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 292' ' ' THR . . . . . 0.603 ' HB ' ' HB1' ' A' ' 335' ' ' ALA . 4.5 t -135.86 164.64 27.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 1.22 110.397 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 38.5 p -120.0 131.67 55.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 3.08 110.431 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 47.4 t -117.86 71.6 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 1.66 109.307 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 89.22 -101.97 2.83 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.428 1.08 . . . . 2.2 111.035 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -113.87 10.78 17.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 3.77 109.331 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.587 ' HA ' HG21 ' A' ' 310' ' ' VAL . 0.0 OUTLIER -108.39 178.0 4.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 3.15 109.307 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 298' ' ' ILE . . . . . 0.441 ' C ' ' CD1' ' A' ' 299' ' ' PHE . 2.2 pt -143.93 151.35 16.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 1.88 109.305 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 299' ' ' PHE . . . . . 0.733 ' O ' HG23 ' A' ' 291' ' ' VAL . 16.9 m-85 -140.11 142.6 36.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 2.74 111.04 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 300' ' ' PHE . . . . . 0.437 ' CD1' ' N ' ' A' ' 300' ' ' PHE . 4.6 m-85 -130.23 136.53 49.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 2.64 110.953 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 301' ' ' PHE . . . . . 0.572 ' CE2' HG13 ' A' ' 332' ' ' ILE . 69.7 m-85 -107.61 60.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 2.81 111.005 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 302' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 301' ' ' PHE . 0.1 OUTLIER -36.16 -76.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 3.24 109.305 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.67 -77.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 3.85 109.297 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.17 -13.16 14.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 5.81 110.332 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -114.65 156.03 25.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 2.35 111.003 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 306' ' ' PHE . . . . . 0.587 ' CD1' ' O ' ' A' ' 306' ' ' PHE . 11.0 p90 -120.69 133.18 55.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 1.91 111.013 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 307' ' ' TRP . . . . . 0.597 ' CH2' HD11 ' A' ' 286' ' ' LEU . 22.0 m0 -88.49 135.26 33.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 4.97 108.006 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 308' ' ' LEU . 0.4 OUTLIER -135.79 88.3 2.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 2.12 109.306 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 309' ' ' LYS . . . . . 0.471 ' CE ' ' HA ' ' A' ' 468' ' ' PHE . 1.3 ttpt -132.5 106.28 7.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 2.97 109.296 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 310' ' ' VAL . . . . . 0.587 HG21 ' HA ' ' A' ' 297' ' ' LYS . 13.8 p -175.72 170.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 2.49 109.3 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 311' ' ' SER . . . . . 0.513 ' N ' HG22 ' A' ' 310' ' ' VAL . 46.8 t 68.17 -80.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 4.12 109.991 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 312' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 314' ' ' PRO . 11.6 mm-40 -126.48 -43.11 1.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 4.25 110.311 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 313' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 312' ' ' GLU . 13.3 mtt85 -36.4 97.42 0.13 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 4.46 110.28 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 314' ' ' PRO . . . . . 0.438 ' N ' ' O ' ' A' ' 312' ' ' GLU . 18.3 Cg_endo -74.96 -25.05 12.3 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 3.07 110.978 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -116.74 144.08 44.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 3.01 109.3 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 316' ' ' THR . . . . . 0.529 HG21 ' CD1' ' A' ' 468' ' ' PHE . 18.8 p -75.14 165.04 25.84 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.531 1.145 . . . . 1.4 110.409 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.05 166.8 12.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 1.84 109.984 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 318' ' ' VAL . . . . . 0.558 ' O ' HG12 ' A' ' 318' ' ' VAL . 73.4 t -144.38 68.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 1.91 109.309 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -107.72 173.35 6.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 1.94 109.314 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.33 153.2 20.08 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.486 1.116 . . . . 1.67 109.251 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 321' ' ' ILE . . . . . 0.515 HG22 ' N ' ' A' ' 322' ' ' SER . 1.8 mt -69.85 -75.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 1.01 109.273 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 322' ' ' SER . . . . . 0.515 ' N ' HG22 ' A' ' 321' ' ' ILE . 14.9 m -37.64 -41.22 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 2.03 109.983 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.28 -33.29 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 1.68 109.983 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.44 -80.4 0.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 1.96 109.278 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 325' ' ' TRP . . . . . 0.618 ' HB3' HD23 ' A' ' 328' ' ' LEU . 0.7 OUTLIER -55.6 150.22 26.59 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 107.976 -1.12 . . . . 2.74 107.976 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -79.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.525 1.803 . . . . 1.21 111.019 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 327' ' ' THR . . . . . 0.968 ' O ' HD22 ' A' ' 328' ' ' LEU . 8.3 t -100.37 93.64 5.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 1.5 110.38 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.968 HD22 ' O ' ' A' ' 327' ' ' THR . 2.8 mm? -140.8 137.36 17.14 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 1.28 109.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 329' ' ' PRO . . . . . 0.405 ' HD2' ' CD1' ' A' ' 328' ' ' LEU . 18.3 Cg_endo -75.03 161.82 38.07 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.499 1.789 . . . . 2.25 110.981 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 11.3 p -112.82 154.48 26.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 2.32 110.007 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 62.23 53.57 41.31 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.475 1.109 . . . . 1.27 110.958 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.572 HG13 ' CE2' ' A' ' 301' ' ' PHE . 45.8 mm -53.46 138.34 12.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.42 0.718 . . . . 2.29 109.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.13 -39.63 17.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.093 . . . . 3.7 110.245 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -152.68 122.78 7.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.87 109.326 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 335' ' ' ALA . . . . . 0.603 ' HB1' ' HB ' ' A' ' 292' ' ' THR . . . -102.25 126.65 49.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.91 109.375 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 336' ' ' TYR . . . . . 0.463 ' HB2' ' HB3' ' A' ' 383' ' ' ALA . 0.7 OUTLIER -142.33 99.3 3.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 3.14 110.977 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.5 159.64 30.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 3.45 110.318 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 338' ' ' ILE . . . . . 0.439 HG22 ' H ' ' A' ' 341' ' ' ARG . 32.5 mt -127.73 130.44 70.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 3.03 109.331 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -72.47 -39.09 68.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 3.96 110.335 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -60.99 -34.82 75.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 2.66 109.263 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 341' ' ' ARG . . . . . 0.439 ' H ' HG22 ' A' ' 338' ' ' ILE . 0.3 OUTLIER -84.54 -21.33 30.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 3.74 110.287 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 59.48 36.19 22.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 3.25 109.218 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -129.73 179.48 5.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.586 1.178 . . . . 3.99 110.315 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 344' ' ' VAL . . . . . . . . . . . . . 56.7 t -145.81 142.73 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 1.7 109.308 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 345' ' ' PHE . . . . . 0.462 ' HE1' HD13 ' A' ' 354' ' ' LEU . 0.2 OUTLIER -145.11 91.7 2.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 4.23 110.918 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 0.466 ' HB3' HD12 ' A' ' 332' ' ' ILE . 15.9 mt -84.28 162.0 20.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 2.51 109.308 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -121.96 140.09 52.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 2.48 110.973 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 348' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -157.83 115.22 2.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.452 1.095 . . . . 4.55 109.346 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 52.28 -152.15 0.26 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.577 1.173 . . . . 3.15 109.316 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 350' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -86.23 44.46 1.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 2.97 109.326 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -155.02 151.45 28.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 2.42 109.301 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 352' ' ' TYR . . . . . 0.519 ' CD1' ' C ' ' A' ' 352' ' ' TYR . 3.2 p90 -139.11 146.29 40.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 3.31 111.012 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -110.07 144.69 38.29 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.024 -1.102 . . . . 4.39 108.024 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 354' ' ' LEU . . . . . 0.814 HD12 ' N ' ' A' ' 355' ' ' ILE . 5.2 tp -108.92 137.68 46.45 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.484 1.115 . . . . 1.86 109.271 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.814 ' N ' HD12 ' A' ' 354' ' ' LEU . 1.3 mp -131.69 90.64 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 1.53 109.295 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 21.6 p -102.78 141.72 35.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 2.61 110.007 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 357' ' ' ASN . . . . . 0.434 ' O ' HD23 ' A' ' 358' ' ' LEU . 19.7 m-20 60.89 39.97 16.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 3.83 109.305 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 358' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 357' ' ' ASN . 0.3 OUTLIER 51.18 36.29 15.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 3.49 109.249 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 12.1 mmm-85 -150.66 130.24 6.59 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.569 1.168 . . . . 4.03 110.369 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 360' ' ' PRO . . . . . 0.42 ' HG2' HG22 ' A' ' 327' ' ' THR . 18.3 Cg_endo -74.99 159.01 41.91 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 1.48 111.004 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -78.54 158.25 76.35 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 3.15 110.297 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 362' ' ' PRO . . . . . 0.556 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.4 Cg_endo -74.96 63.67 5.97 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.504 1.792 . . . . 2.11 111.0 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 363' ' ' ASN . . . . . 0.556 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 7.5 m-20 86.22 103.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 4.62 109.286 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 364' ' ' TYR . . . . . 0.568 ' CD2' ' HE3' ' A' ' 366' ' ' LYS . 0.1 OUTLIER -128.18 66.06 71.49 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 2.95 110.968 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 365' ' ' PRO . . . . . 0.419 ' HD3' ' C ' ' A' ' 363' ' ' ASN . 18.2 Cg_endo -75.03 55.37 3.94 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.456 1.766 . . . . 1.64 111.011 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 366' ' ' LYS . . . . . 0.568 ' HE3' ' CD2' ' A' ' 364' ' ' TYR . 0.2 OUTLIER -82.78 -179.69 7.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 2.26 109.315 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 17.0 m -144.73 138.06 26.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 2.07 109.995 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 18.8 pt -66.74 -11.39 13.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.45 1.094 . . . . 1.66 109.292 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 369' ' ' HIS . . . . . 0.484 ' CA ' ' HB2' ' A' ' 373' ' ' PHE . 0.0 OUTLIER -70.27 -30.36 67.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 3.15 109.559 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.87 -7.89 43.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 2.37 110.027 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.03 8.67 40.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 5.8 111.056 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . 143.12 -54.03 0.6 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.532 1.145 . . . . 4.15 111.049 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 373' ' ' PHE . . . . . 0.484 ' HB2' ' CA ' ' A' ' 369' ' ' HIS . 37.7 t80 56.3 87.4 0.14 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.506 0.768 . . . . 5.12 110.962 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 374' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.39 8.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 2.38 111.025 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 59.59 74.99 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 7.18 109.358 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 1.6 t80 179.32 -36.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 6.4 110.991 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 377' ' ' VAL . . . . . 0.466 HG22 ' H ' ' A' ' 378' ' ' LYS . 0.8 OUTLIER -67.46 176.56 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 1.98 109.304 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 378' ' ' LYS . . . . . 0.466 ' H ' HG22 ' A' ' 377' ' ' VAL . 0.0 OUTLIER 179.77 -36.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 4.68 109.317 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -150.64 138.53 19.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 1.68 109.326 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 11.2 mt -101.41 145.0 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.126 . . . . 0.89 109.349 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.7 -51.78 6.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 1.84 109.321 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 382' ' ' ALA . . . . . 0.813 ' HB2' ' HA ' ' A' ' 431' ' ' ALA . . . -155.91 165.9 35.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.64 109.203 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 383' ' ' ALA . . . . . 0.463 ' HB3' ' HB2' ' A' ' 336' ' ' TYR . . . -153.3 125.72 8.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.69 109.27 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 46.9 t -149.94 159.51 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 2.72 109.278 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -91.76 162.64 14.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 2.69 111.044 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -116.84 95.92 47.63 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 2.43 109.319 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 387' ' ' PRO . . . . . 0.557 ' HG3' ' CE2' ' A' ' 434' ' ' TYR . 18.3 Cg_endo -74.95 49.5 2.26 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.469 1.773 . . . . 4.63 111.054 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 388' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 387' ' ' PRO . 0.4 OUTLIER -156.96 -39.07 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 3.64 110.347 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.07 0.41 16.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 2.77 111.007 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 55.0 46.12 24.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 3.09 110.966 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -140.25 152.31 45.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 2.89 110.242 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 21.8 m -100.74 126.83 47.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.91 110.402 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -84.59 135.7 34.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 2.53 110.999 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -131.39 109.7 10.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 2.62 111.06 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 395' ' ' PHE . . . . . 0.492 ' CD2' HG21 ' A' ' 429' ' ' ILE . 20.4 m-85 -100.76 131.99 46.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 1.21 110.988 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 396' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 398' ' ' ASN . 86.3 t -132.95 86.86 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 1.48 109.298 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 62.77 -84.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 4.83 109.272 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 398' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 396' ' ' VAL . 4.5 m120 -129.58 44.51 2.96 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.475 1.11 . . . . 3.54 109.306 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.48 147.04 50.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 3.16 110.291 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 400' ' ' TYR . . . . . 0.53 ' CE1' ' HG3' ' A' ' 402' ' ' ARG . 0.6 OUTLIER -128.65 85.95 2.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 2.55 110.992 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -86.56 168.46 13.67 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.022 -1.103 . . . . 4.45 108.022 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 402' ' ' ARG . . . . . 0.53 ' HG3' ' CE1' ' A' ' 400' ' ' TYR . 3.7 mtm180 -154.11 111.15 3.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 3.17 110.279 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -90.11 130.01 36.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 4.96 111.012 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.51 123.16 27.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 2.36 109.261 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.44 -50.01 6.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 2.92 110.226 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -31.94 68.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 6.55 110.274 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.58 -29.14 13.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 2.86 110.274 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 67.12 43.41 2.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 3.4 110.254 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 2.0 tpt -145.47 126.68 14.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 2.03 111.029 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -67.27 135.48 53.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 3.08 111.004 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.79 133.33 86.54 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 2.38 109.271 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 412' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 413' ' ' GLY . 18.7 Cg_endo -74.97 118.62 5.33 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.803 . . . . 2.37 111.022 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 413' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 412' ' ' PRO . . . 41.92 94.37 0.01 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.491 1.12 . . . . 1.99 110.95 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 414' ' ' TYR . . . . . 0.546 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 1.8 t80 -135.62 63.2 52.61 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 2.08 110.992 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 415' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.5 Cg_endo -74.96 77.32 3.14 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.545 1.813 . . . . 1.71 111.003 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 416' ' ' LYS . . . . . 0.546 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 36.4 mmtt -96.61 173.26 7.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 2.53 109.263 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -114.88 140.43 48.98 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.474 1.108 . . . . 2.08 109.304 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 1.8 mp -70.07 -62.87 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.95 109.323 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 12.5 t -37.83 -39.51 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.437 1.085 . . . . 1.2 110.411 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -65.43 -65.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 1.5 109.347 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 421' ' ' ASN . . . . . 0.732 ' ND2' ' CE2' ' A' ' 422' ' ' PHE . 28.1 t30 -45.67 -35.3 4.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 2.29 109.362 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 422' ' ' PHE . . . . . 0.732 ' CE2' ' ND2' ' A' ' 421' ' ' ASN . 16.5 m-85 -150.89 117.75 5.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 2.8 110.999 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -93.55 119.52 32.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 2.16 110.341 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 149.64 -35.87 1.01 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.128 . . . . 1.94 111.065 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 425' ' ' ILE . . . . . 0.541 HD13 ' H ' ' A' ' 425' ' ' ILE . 0.2 OUTLIER -86.7 -24.82 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.437 0.728 . . . . 2.39 109.343 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 96.48 177.39 35.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.535 1.147 . . . . 1.03 110.966 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -9.35 20.8 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 1.36 111.064 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.03 132.5 46.25 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.505 1.128 . . . . 4.18 109.299 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 429' ' ' ILE . . . . . 0.495 ' CD1' ' O ' ' A' ' 431' ' ' ALA . 0.1 OUTLIER -127.16 140.77 48.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 2.14 109.217 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 430' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 430' ' ' ASP . 0.9 OUTLIER -80.21 -64.31 1.22 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.084 . . . . 3.32 109.338 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.813 ' HA ' ' HB2' ' A' ' 382' ' ' ALA . . . -151.76 173.67 14.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.93 109.21 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.507 HG12 ' CB ' ' A' ' 382' ' ' ALA . 2.3 p -160.36 146.93 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 1.97 109.31 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 433' ' ' PHE . . . . . 0.645 ' CE1' ' CZ ' ' A' ' 443' ' ' PHE . 3.7 p90 -148.23 154.95 40.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 2.69 110.998 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 434' ' ' TYR . . . . . 0.557 ' CE2' ' HG3' ' A' ' 387' ' ' PRO . 63.7 t80 -121.09 89.06 3.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 3.47 110.996 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.81 -8.6 10.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.39 1.056 . . . . 2.58 110.012 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 436' ' ' LYS . . . . . 0.52 ' HD3' ' CD1' ' A' ' 441' ' ' TYR . 0.0 OUTLIER -69.69 -167.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 5.11 109.327 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -99.41 -37.01 9.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 3.64 109.333 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 438' ' ' LYS . . . . . 0.471 ' O ' ' CD1' ' A' ' 439' ' ' TYR . 0.6 OUTLIER -161.54 46.51 0.18 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 4.64 109.289 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 439' ' ' TYR . . . . . 0.471 ' CD1' ' O ' ' A' ' 438' ' ' LYS . 20.0 m-85 -144.81 163.34 34.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 3.18 110.972 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 440' ' ' TYR . . . . . 0.443 ' N ' ' CD1' ' A' ' 440' ' ' TYR . 10.1 m-85 -129.2 113.39 14.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 3.63 110.979 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 441' ' ' TYR . . . . . 0.52 ' CD1' ' HD3' ' A' ' 436' ' ' LYS . 7.2 m-85 -94.51 143.62 26.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 3.59 110.994 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 442' ' ' PHE . . . . . 0.409 ' CE1' HG21 ' A' ' 432' ' ' VAL . 97.9 m-85 -135.13 145.62 48.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 3.58 110.971 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 443' ' ' PHE . . . . . 0.645 ' CZ ' ' CE1' ' A' ' 433' ' ' PHE . 66.2 m-85 -111.03 112.86 24.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 4.56 110.995 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 444' ' ' GLN . . . . . 0.415 ' O ' ' ND2' ' A' ' 447' ' ' ASN . 36.6 tp60 -125.86 82.2 2.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 3.4 110.271 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 101.72 -95.59 1.36 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.139 . . . . 1.88 110.961 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 446' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 286' ' ' LEU . 8.8 p -141.65 44.13 1.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 0.73 . . . . 2.13 110.021 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 447' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 444' ' ' GLN . 7.8 p30 -144.61 141.76 29.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 2.61 109.256 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -129.97 71.8 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 4.57 110.282 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 449' ' ' PHE . . . . . 0.516 ' HB3' HG23 ' A' ' 461' ' ' THR . 3.8 p90 -79.26 174.12 11.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 4.63 111.021 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 0.477 ' HG3' ' CE1' ' A' ' 441' ' ' TYR . 40.2 tt0 -107.12 159.03 16.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 3.19 110.298 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 451' ' ' TYR . . . . . 0.404 ' N ' ' HG2' ' A' ' 450' ' ' GLU . 16.1 t80 -137.5 128.21 27.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 3.04 110.968 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 452' ' ' ASP . . . . . 0.4 ' CB ' ' HB2' ' A' ' 455' ' ' LEU . 75.5 m-20 -91.91 139.28 30.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.162 . . . . 3.57 109.321 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -88.29 -22.85 23.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.393 1.058 . . . . 3.49 111.023 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 19.5 tp -95.79 -2.05 48.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 3.59 109.231 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.509 ' HA ' HD23 ' A' ' 455' ' ' LEU . 4.7 mt -124.67 -42.67 2.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 3.49 109.31 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 456' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' ' 455' ' ' LEU . 23.5 mt-30 77.44 17.8 1.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 2.94 110.297 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.49 164.35 18.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 3.88 110.266 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 458' ' ' ILE . . . . . 0.456 ' CG2' ' HB2' ' A' ' 449' ' ' PHE . 44.3 mt -98.02 112.24 29.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 2.08 109.278 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 459' ' ' THR . . . . . 0.468 ' OG1' ' N ' ' A' ' 460' ' ' LYS . 39.0 p -69.96 -70.14 0.31 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 2.81 110.339 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 460' ' ' LYS . . . . . 0.468 ' N ' ' OG1' ' A' ' 459' ' ' THR . 0.2 OUTLIER -110.92 147.43 34.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 5.6 109.293 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 461' ' ' THR . . . . . 0.516 HG23 ' HB3' ' A' ' 449' ' ' PHE . 3.7 m -132.58 100.74 5.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 2.39 110.409 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 462' ' ' LEU . . . . . 0.484 ' CB ' ' HB3' ' A' ' 466' ' ' SER . 1.1 mm? -84.01 179.65 7.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 3.85 109.263 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 463' ' ' LYS . . . . . 0.421 ' C ' ' N ' ' A' ' 465' ' ' ASN . 0.0 OUTLIER -121.88 74.47 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 3.2 109.312 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 44.92 25.35 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 2.12 110.019 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 465' ' ' ASN . . . . . 0.421 ' N ' ' C ' ' A' ' 463' ' ' LYS . 9.3 m-80 -135.13 32.98 3.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 3.12 109.329 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 466' ' ' SER . . . . . 0.484 ' HB3' ' CB ' ' A' ' 462' ' ' LEU . 0.9 OUTLIER -100.15 33.44 2.63 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.15 . . . . 5.1 110.026 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 467' ' ' TRP . . . . . 0.564 ' O ' ' CG ' ' A' ' 468' ' ' PHE . 4.4 m95 177.08 56.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 5.41 108.025 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 468' ' ' PHE . . . . . 0.573 ' CE1' ' CZ3' ' A' ' 307' ' ' TRP . 86.3 m-85 -163.42 -41.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 6.84 110.934 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 109.74 67.45 0.58 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.457 1.098 . . . . 2.88 110.98 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 470' ' ' CYS . . . . . 1.058 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 1.1 m . . . . . 0 C--N 1.324 -0.519 0 N-CA-C 108.283 -1.006 . . . . 4.02 108.283 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 471' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 277' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.5 0.19 . . . . 9.48 110.999 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -123.44 113.73 29.09 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 8.02 110.308 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -86.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 4.03 110.995 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 280' ' ' ALA . . . . . . . . . . . . . . . -166.86 -52.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 4.43 109.254 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 281' ' ' LEU . . . . . 0.505 HD11 ' HE1' ' A' ' 307' ' ' TRP . 0.4 OUTLIER 73.75 36.04 0.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 3.71 109.299 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 282' ' ' CYS . . . . . 0.998 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 0.5 OUTLIER 178.75 42.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 3.74 108.382 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.83 154.26 16.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 3.47 109.298 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 56.9 4.38 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.532 1.806 . . . . 2.59 111.073 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -165.11 55.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 3.19 109.244 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 10.8 tp -108.33 148.09 30.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 2.85 109.253 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 81.5 p -134.87 157.11 47.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 1.72 109.997 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -124.15 170.23 10.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 1.89 111.047 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 289' ' ' ASP . . . . . 0.834 ' O ' 'CA ' ' A' ' 471' ' ' ' CA' . 0.2 OUTLIER -114.42 -56.71 2.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 2.26 109.261 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 290' ' ' ALA . . . . . 0.449 ' CB ' HG22 ' A' ' 332' ' ' ILE . . . -138.75 172.55 12.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.15 109.285 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 291' ' ' VAL . . . . . 0.75 HG22 ' HB1' ' A' ' 431' ' ' ALA . 8.5 m -152.65 137.71 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 2.27 109.266 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 292' ' ' THR . . . . . 0.414 ' HB ' ' CB ' ' A' ' 335' ' ' ALA . 0.6 OUTLIER -131.65 151.29 51.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 1.53 110.297 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 15.8 p -130.78 106.53 8.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 3.68 110.363 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 98.7 t -121.81 84.93 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 2.36 109.291 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 85.0 -120.03 5.19 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 1.91 111.011 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 296' ' ' ASN . . . . . 0.677 ' O ' HG21 ' A' ' 310' ' ' VAL . 16.2 p-10 -108.01 11.3 27.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 0.756 . . . . 4.48 109.279 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.41 145.79 31.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 2.64 109.287 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 298' ' ' ILE . . . . . 0.599 HD12 ' HZ ' ' A' ' 300' ' ' PHE . 10.6 pt -132.44 151.52 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 1.96 109.321 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 299' ' ' PHE . . . . . 0.713 ' CE2' HD23 ' A' ' 308' ' ' LEU . 33.9 m-85 -141.91 150.16 41.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 2.34 110.97 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 300' ' ' PHE . . . . . 0.599 ' HZ ' HD12 ' A' ' 298' ' ' ILE . 0.4 OUTLIER -143.39 104.66 4.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 2.77 111.004 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 301' ' ' PHE . . . . . 0.668 ' CD1' HD13 ' A' ' 332' ' ' ILE . 41.5 m-85 -81.68 155.86 25.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 2.32 110.995 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 302' ' ' LYS . . . . . 0.443 ' HB2' ' CZ3' ' A' ' 307' ' ' TRP . 0.0 OUTLIER -127.06 -53.55 1.4 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 4.38 109.253 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 303' ' ' ASP . . . . . 0.435 ' O ' ' HB2' ' A' ' 304' ' ' ARG . 19.5 t70 -165.3 79.76 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 4.75 109.292 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 304' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 303' ' ' ASP . 2.8 mmt-85 80.45 -10.27 1.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 6.52 110.35 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 305' ' ' PHE . . . . . 0.536 ' CD2' HG12 ' A' ' 318' ' ' VAL . 8.5 m-85 -104.73 153.12 21.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 2.81 110.966 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 306' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -121.05 146.41 46.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 2.14 110.968 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 307' ' ' TRP . . . . . 0.576 ' CH2' HG13 ' A' ' 318' ' ' VAL . 1.3 m-90 -102.75 137.29 41.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 5.11 107.975 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.713 HD23 ' CE2' ' A' ' 299' ' ' PHE . 1.1 tm? -137.37 105.08 5.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 2.32 109.246 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 309' ' ' LYS . . . . . 0.599 ' C ' HG12 ' A' ' 310' ' ' VAL . 0.8 OUTLIER -153.23 105.22 2.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 2.8 109.273 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 310' ' ' VAL . . . . . 0.677 HG21 ' O ' ' A' ' 296' ' ' ASN . 0.2 OUTLIER 177.81 -72.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 2.51 109.327 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 311' ' ' SER . . . . . 0.535 ' H ' HG13 ' A' ' 310' ' ' VAL . 33.2 p -37.33 -82.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 6.45 110.062 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -145.73 66.08 1.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 7.16 110.298 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 313' ' ' ARG . . . . . 0.556 ' HD3' HD12 ' A' ' 308' ' ' LEU . 0.0 OUTLIER -127.48 128.78 23.94 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 4.97 110.266 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -37.16 2.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 2.61 110.946 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 19.6 ttmt -139.88 163.95 31.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 4.03 109.322 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 23.5 p -75.47 136.86 40.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 1.47 110.409 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.94 128.84 55.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 2.4 109.995 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 318' ' ' VAL . . . . . 0.576 HG13 ' CH2' ' A' ' 307' ' ' TRP . 38.1 t -96.26 73.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 2.11 109.282 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 319' ' ' ASN . . . . . 0.52 ' O ' ' CD2' ' A' ' 305' ' ' PHE . 2.0 m120 -96.76 179.64 4.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 2.43 109.309 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 321' ' ' ILE . 10.3 tp -93.19 152.01 19.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.076 . . . . 2.18 109.263 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 321' ' ' ILE . . . . . 0.407 ' N ' ' HG ' ' A' ' 320' ' ' LEU . 42.4 mt -67.36 -62.23 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 1.07 109.286 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.61 -26.86 0.67 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 3.07 109.985 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.51 -41.66 61.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 1.5 109.95 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.48 -76.29 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.594 1.184 . . . . 2.07 109.256 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -48.79 153.04 1.54 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 1.75 108.05 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 326' ' ' PRO . . . . . 0.475 ' HG2' ' CG ' ' A' ' 360' ' ' PRO . 18.4 Cg_endo -75.0 -79.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.475 1.776 . . . . 1.26 110.996 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 327' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.0 96.52 4.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.42 1.075 . . . . 1.56 110.422 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -113.03 161.72 25.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 1.32 109.338 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -3.93 14.65 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.783 . . . . 2.75 111.006 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 330' ' ' SER . . . . . 0.565 ' O ' ' C ' ' A' ' 331' ' ' GLY . 0.9 OUTLIER 53.04 -162.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 2.71 109.961 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 331' ' ' GLY . . . . . 0.565 ' C ' ' O ' ' A' ' 330' ' ' SER . . . 21.54 61.91 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.519 1.137 . . . . 1.33 110.976 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.668 HD13 ' CD1' ' A' ' 301' ' ' PHE . 4.1 mp -65.61 113.76 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 2.14 109.268 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 333' ' ' GLU . . . . . 0.432 ' C ' ' HB2' ' A' ' 290' ' ' ALA . 73.1 mm-40 -81.92 -34.8 29.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 3.77 110.315 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -156.63 129.54 7.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 1.37 109.252 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 335' ' ' ALA . . . . . 0.414 ' CB ' ' HB ' ' A' ' 292' ' ' THR . . . -109.33 149.99 28.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.08 109.273 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 336' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -140.39 160.0 40.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 3.63 110.989 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -134.44 136.39 43.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 4.79 110.23 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 338' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 340' ' ' ALA . 0.5 OUTLIER -107.91 84.69 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 4.22 109.327 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -67.13 73.19 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 4.47 110.299 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 340' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 338' ' ' ILE . . . -156.52 -55.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 2.7 109.35 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -112.91 10.11 18.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 4.67 110.317 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 56.59 75.64 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 2.84 109.353 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 343' ' ' GLN . . . . . 0.414 ' OE1' ' CE1' ' A' ' 345' ' ' PHE . 1.1 mt-30 -131.53 173.7 10.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 3.56 110.314 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 344' ' ' VAL . . . . . . . . . . . . . 89.8 t -142.85 139.67 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 1.3 109.367 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 345' ' ' PHE . . . . . 0.414 ' CE1' ' OE1' ' A' ' 343' ' ' GLN . 44.0 m-85 -131.68 137.32 48.25 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.542 1.151 . . . . 2.61 111.036 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 0.442 HD12 HG21 ' A' ' 332' ' ' ILE . 2.6 mm? -123.11 120.86 34.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 1.68 109.305 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 347' ' ' PHE . . . . . 0.616 ' CG ' HD12 ' A' ' 380' ' ' ILE . 16.5 m-85 -87.67 138.19 31.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 2.91 110.999 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 348' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.81 112.92 2.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 3.26 109.334 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 3.2 t0 53.75 -151.0 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 3.08 109.27 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 350' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 350' ' ' ASP . 2.5 p-10 -87.13 43.98 1.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 3.64 109.324 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -151.31 149.41 29.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 1.65 109.271 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 352' ' ' TYR . . . . . 0.575 ' CD1' ' C ' ' A' ' 352' ' ' TYR . 1.0 OUTLIER -130.49 154.31 47.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 3.74 111.009 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -121.43 147.25 45.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.558 1.161 . . . . 5.9 107.984 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 354' ' ' LEU . . . . . 0.825 HD12 ' N ' ' A' ' 355' ' ' ILE . 1.8 tp -114.33 138.02 51.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.568 1.168 . . . . 1.74 109.251 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.825 ' N ' HD12 ' A' ' 354' ' ' LEU . 2.0 mp -132.34 103.43 6.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 1.44 109.319 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 33.0 t -111.36 136.11 50.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 2.37 109.986 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 7.8 m120 58.08 44.98 18.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 3.1 109.306 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 53.45 36.71 23.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 3.32 109.32 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.7 129.29 6.46 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 3.38 110.28 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 360' ' ' PRO . . . . . 0.475 ' CG ' ' HG2' ' A' ' 326' ' ' PRO . 18.4 Cg_endo -75.07 167.24 27.42 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.544 1.812 . . . . 1.77 111.003 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -76.49 159.86 78.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 2.89 110.197 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 362' ' ' PRO . . . . . 0.56 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.0 Cg_endo -75.17 56.83 4.48 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.473 1.775 . . . . 1.87 110.98 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 363' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 5.6 m-20 86.75 96.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 5.28 109.371 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 364' ' ' TYR . . . . . 0.555 ' CD2' ' HE3' ' A' ' 366' ' ' LYS . 0.1 OUTLIER -127.99 64.82 66.94 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.375 1.047 . . . . 3.07 111.005 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 365' ' ' PRO . . . . . 0.442 ' HD3' ' C ' ' A' ' 363' ' ' ASN . 18.3 Cg_endo -74.98 54.33 3.6 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.472 1.775 . . . . 1.76 110.983 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 366' ' ' LYS . . . . . 0.555 ' HE3' ' CD2' ' A' ' 364' ' ' TYR . 0.1 OUTLIER -84.48 179.28 7.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.098 . . . . 2.41 109.284 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 5.0 m -136.15 132.77 36.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 2.35 109.967 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 368' ' ' ILE . . . . . 0.428 HG23 ' HB3' ' A' ' 352' ' ' TYR . 39.0 pt -57.23 -25.19 22.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 2.11 109.254 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -69.55 -26.57 64.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 3.67 109.662 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.6 -9.85 39.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 2.64 110.009 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -153.5 39.51 0.5 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.49 1.119 . . . . 6.88 111.051 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 372' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -145.25 -67.11 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.498 1.124 . . . . 2.93 111.011 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 373' ' ' PHE . . . . . 0.456 ' N ' ' HD3' ' A' ' 374' ' ' PRO . 1.3 t80 35.57 60.68 2.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.528 0.781 . . . . 5.83 110.968 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 374' ' ' PRO . . . . . 0.659 ' HG2' HG13 ' A' ' 377' ' ' VAL . 18.5 Cg_endo -74.87 -88.01 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.553 1.818 . . . . 3.5 110.973 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -135.95 -46.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 6.59 109.227 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -171.32 84.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 4.7 111.045 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 377' ' ' VAL . . . . . 0.659 HG13 ' HG2' ' A' ' 374' ' ' PRO . 11.4 m -109.03 169.19 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 2.71 109.284 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.84 -34.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 2.9 109.254 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.91 126.09 16.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 1.73 109.265 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 380' ' ' ILE . . . . . 0.616 HD12 ' CG ' ' A' ' 347' ' ' PHE . 38.9 mt -98.22 141.86 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 1.16 109.271 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -87.02 -48.46 8.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 2.1 109.377 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 382' ' ' ALA . . . . . 0.55 ' CB ' HG12 ' A' ' 432' ' ' VAL . . . -158.6 169.74 23.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.75 109.27 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -160.11 128.02 4.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.586 1.179 . . . . 0.8 109.254 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 384' ' ' VAL . . . . . 0.43 HG22 ' N ' ' A' ' 385' ' ' PHE . 8.7 p -130.48 166.55 27.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 2.18 109.285 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 385' ' ' PHE . . . . . 0.43 ' N ' HG22 ' A' ' 384' ' ' VAL . 31.6 t80 -117.19 131.72 56.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 1.81 110.945 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -93.51 121.56 64.64 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 2.55 109.318 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -43.65 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.538 1.81 . . . . 2.4 111.004 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.2 44.43 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 2.52 110.259 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 389' ' ' PHE . . . . . 0.565 ' C ' ' CG ' ' A' ' 390' ' ' TYR . 0.1 OUTLIER -172.69 -37.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.588 1.18 . . . . 3.14 111.065 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 390' ' ' TYR . . . . . 0.565 ' CG ' ' C ' ' A' ' 389' ' ' PHE . 3.0 m-85 72.33 39.79 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 2.35 110.964 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -132.1 145.8 51.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 2.81 110.355 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 29.5 m -102.47 114.17 28.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.8 110.419 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 393' ' ' TYR . . . . . 0.406 ' CE2' ' OH ' ' A' ' 400' ' ' TYR . 13.0 m-85 -79.66 117.08 20.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 2.17 110.96 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -102.4 127.69 49.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 2.1 111.057 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 395' ' ' PHE . . . . . 0.423 ' HE2' HG23 ' A' ' 418' ' ' ILE . 53.1 m-85 -106.07 113.9 27.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 1.08 110.909 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 93.6 t -134.8 122.64 38.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.147 . . . . 1.73 109.329 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 52.8 -151.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.406 1.066 . . . . 3.64 109.224 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -87.72 49.21 1.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 3.46 109.271 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -148.06 163.16 37.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 3.32 110.27 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 400' ' ' TYR . . . . . 0.545 ' C ' ' CD1' ' A' ' 400' ' ' TYR . 0.1 OUTLIER -132.27 120.13 21.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 2.23 111.001 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 6.0 m-90 -113.2 164.52 13.42 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.933 -1.136 . . . . 4.99 107.933 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -146.51 126.99 14.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 3.0 110.355 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -101.09 147.26 26.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 6.33 110.969 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.51 127.52 39.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 1.82 109.362 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.52 -50.59 4.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 3.54 110.32 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -65.03 -28.97 69.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 6.78 110.242 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 407' ' ' ARG . . . . . 0.428 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 1.5 mmt85 -91.7 -44.67 8.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 3.02 110.242 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 408' ' ' GLN . . . . . 0.428 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 14.8 tt0 81.0 39.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.085 . . . . 2.83 110.334 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 4.5 tpt -144.69 111.16 5.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 3.28 110.949 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.0 139.21 54.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 4.84 110.952 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -94.33 112.09 56.18 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 3.94 109.277 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -55.82 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.468 1.773 . . . . 4.82 111.008 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . -74.16 64.16 2.04 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.501 1.125 . . . . 2.22 111.039 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 414' ' ' TYR . . . . . 0.553 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 1.9 t80 -136.29 61.67 40.18 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.431 0.724 . . . . 2.37 111.024 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 415' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -74.95 67.87 5.81 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.54 1.811 . . . . 1.62 111.002 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 416' ' ' LYS . . . . . 0.553 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 18.0 mmtt -87.66 173.51 8.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 2.56 109.333 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.98 153.86 39.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 1.93 109.332 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.727 HD13 ' O ' ' A' ' 427' ' ' PRO . 4.4 mp -69.95 -51.78 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.594 1.184 . . . . 1.29 109.293 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 17.2 m -57.28 -49.17 76.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 2.65 110.439 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -50.24 -66.17 0.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 2.67 109.3 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 421' ' ' ASN . . . . . 0.508 ' OD1' ' CE2' ' A' ' 422' ' ' PHE . 11.4 t-20 -42.01 -53.51 3.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 2.61 109.284 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 422' ' ' PHE . . . . . 0.553 ' HB3' ' CE2' ' A' ' 451' ' ' TYR . 51.1 m-85 -131.67 99.64 4.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 2.75 111.01 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -78.7 110.75 14.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 2.42 110.25 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 424' ' ' GLY . . . . . 0.49 ' HA3' ' CD1' ' A' ' 458' ' ' ILE . . . 131.6 41.76 0.2 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.558 1.161 . . . . 2.65 110.946 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 425' ' ' ILE . . . . . 0.441 ' CD1' ' HB2' ' A' ' 422' ' ' PHE . 1.4 pt -147.16 -58.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.583 0.814 . . . . 2.28 109.304 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 143.5 164.32 10.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.434 1.084 . . . . 1.14 110.972 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 427' ' ' PRO . . . . . 0.727 ' O ' HD13 ' A' ' 418' ' ' ILE . 18.2 Cg_endo -75.05 -24.49 12.69 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.45 1.763 . . . . 1.19 110.983 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.7 141.35 48.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 2.5 109.29 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 429' ' ' ILE . . . . . 0.53 HD12 ' HD1' ' A' ' 442' ' ' PHE . 1.5 mm -134.17 141.27 44.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 2.1 109.272 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.99 -71.06 0.71 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 2.31 109.307 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.75 ' HB1' HG22 ' A' ' 291' ' ' VAL . . . -123.7 144.21 49.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 1.26 109.36 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.966 HG21 ' CE1' ' A' ' 442' ' ' PHE . 2.5 p -160.07 108.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 2.13 109.308 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -118.26 166.95 12.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 2.51 111.015 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 434' ' ' TYR . . . . . 0.428 ' O ' ' CD2' ' A' ' 434' ' ' TYR . 90.2 t80 -127.33 79.11 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 3.36 111.02 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.72 -18.67 13.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 2.19 109.964 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 436' ' ' LYS . . . . . 0.561 ' HE3' ' CE2' ' A' ' 441' ' ' TYR . 31.9 mmtt -71.3 -152.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 5.39 109.306 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 437' ' ' ASN . . . . . 0.45 ' O ' ' CD2' ' A' ' 439' ' ' TYR . 21.5 t-20 -123.25 114.91 20.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 4.77 109.268 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.96 29.48 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.074 . . . . 3.04 109.319 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 439' ' ' TYR . . . . . 0.45 ' CD2' ' O ' ' A' ' 437' ' ' ASN . 11.8 m-85 -131.04 144.76 51.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 2.21 111.0 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -118.87 127.86 53.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 3.33 110.968 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 441' ' ' TYR . . . . . 0.561 ' CE2' ' HE3' ' A' ' 436' ' ' LYS . 3.4 m-30 -105.53 127.1 52.83 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.452 1.095 . . . . 2.73 111.021 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 442' ' ' PHE . . . . . 0.966 ' CE1' HG21 ' A' ' 432' ' ' VAL . 24.9 m-85 -124.12 140.42 52.98 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.122 . . . . 3.24 111.06 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 443' ' ' PHE . . . . . 0.552 ' CD1' ' C ' ' A' ' 443' ' ' PHE . 0.1 OUTLIER -142.18 141.01 32.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 5.43 110.986 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -152.39 69.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 4.19 110.314 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 137.67 -89.7 0.21 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.539 1.149 . . . . 1.77 111.024 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 3.8 t -150.58 40.22 0.75 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.546 0.792 . . . . 2.03 109.959 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -148.45 142.85 26.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 2.07 109.284 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -121.37 97.06 5.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 3.2 110.297 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -87.23 151.62 23.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 2.9 110.957 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 0.401 ' HG2' ' N ' ' A' ' 451' ' ' TYR . 20.3 tt0 -117.56 143.65 45.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 3.43 110.27 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 451' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 422' ' ' PHE . 1.2 t80 -121.63 113.19 19.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 2.97 111.008 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -97.21 106.63 19.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 3.48 109.377 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -55.47 -17.09 4.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 3.34 110.966 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 41.9 tp -41.3 -44.49 2.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 2.33 109.271 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -164.92 30.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 2.44 109.352 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 456' ' ' GLN . . . . . 0.47 ' HA ' ' CE1' ' A' ' 451' ' ' TYR . 3.4 mt-30 45.7 75.78 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 2.81 110.302 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -136.82 121.42 18.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 4.83 110.346 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 458' ' ' ILE . . . . . 0.49 ' CD1' ' HA3' ' A' ' 424' ' ' GLY . 3.0 mp -91.83 88.2 2.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 2.53 109.304 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 9.5 t -113.25 44.4 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 4.14 110.363 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.46 116.71 2.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 3.95 109.31 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 54.8 m -138.86 79.71 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 2.51 110.392 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -97.18 161.3 13.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 2.13 109.316 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.75 146.51 24.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 3.14 109.359 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 24.5 p -40.44 -42.51 1.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 1.97 109.997 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -99.34 72.99 1.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.402 1.064 . . . . 2.91 109.364 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 4.2 t -120.37 -7.2 9.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 2.55 109.979 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 467' ' ' TRP . . . . . 0.424 ' O ' ' C ' ' A' ' 468' ' ' PHE . 9.6 m95 -122.05 -70.18 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 4.37 108.025 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 468' ' ' PHE . . . . . 0.424 ' C ' ' O ' ' A' ' 467' ' ' TRP . 18.4 m-85 -35.84 -50.6 0.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 7.97 110.932 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 469' ' ' GLY . . . . . 0.416 ' O ' ' SG ' ' A' ' 470' ' ' CYS . . . 104.58 51.83 0.89 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.512 1.132 . . . . 3.25 110.985 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 470' ' ' CYS . . . . . 0.998 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 1.5 p . . . . . 0 C--N 1.324 -0.506 0 N-CA-C 108.265 -1.013 . . . . 7.87 108.265 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 471' ' ' ' CA' . . . . . 0.834 'CA ' ' O ' ' A' ' 289' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 277' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.496 0.188 . . . . 10.9 110.984 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 278' ' ' GLU . . . . . 0.471 ' N ' ' HD3' ' A' ' 279' ' ' PRO . 0.7 OUTLIER -157.07 60.86 2.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 10.22 110.343 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 279' ' ' PRO . . . . . 0.615 ' CG ' ' CZ2' ' A' ' 307' ' ' TRP . 18.4 Cg_endo -75.01 100.29 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.54 1.811 . . . . 4.65 111.061 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 280' ' ' ALA . . . . . 0.529 ' C ' ' O ' ' A' ' 279' ' ' PRO . . . 27.84 56.22 0.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.162 . . . . 4.17 109.276 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 281' ' ' LEU . . . . . 0.423 ' HA ' HD23 ' A' ' 281' ' ' LEU . 11.4 mt -103.19 40.12 1.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 2.86 109.314 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 282' ' ' CYS . . . . . 1.055 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 0.1 OUTLIER -171.79 -60.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 4.11 108.241 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 283' ' ' ASP . . . . . 0.699 ' HB3' HD22 ' A' ' 285' ' ' ASN . 0.9 OUTLIER -69.14 146.88 97.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 3.69 109.29 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 84.68 1.62 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.562 1.822 . . . . 1.62 111.032 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 285' ' ' ASN . . . . . 0.699 HD22 ' HB3' ' A' ' 283' ' ' ASP . 0.3 OUTLIER -167.19 32.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 2.89 109.289 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 286' ' ' LEU . . . . . 0.588 HD13 ' N ' ' A' ' 287' ' ' SER . 3.1 tm? -106.53 139.26 41.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 3.7 109.297 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 287' ' ' SER . . . . . 0.588 ' N ' HD13 ' A' ' 286' ' ' LEU . 2.2 p -123.26 153.33 40.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 1.57 109.971 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 288' ' ' PHE . . . . . 0.543 ' CE2' ' CE2' ' A' ' 443' ' ' PHE . 18.5 m-85 -112.88 171.43 7.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 2.44 111.022 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -145.23 -57.1 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 4.09 109.274 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -126.51 122.02 33.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 1.34 109.264 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 291' ' ' VAL . . . . . 0.534 HG13 ' CE1' ' A' ' 300' ' ' PHE . 63.2 t -131.21 134.25 61.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 2.06 109.333 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 10.1 t -151.23 168.87 23.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 1.21 110.352 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 293' ' ' THR . . . . . 0.62 HG21 ' CB ' ' A' ' 435' ' ' SER . 22.7 p -122.64 166.66 14.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 2.56 110.444 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 294' ' ' VAL . . . . . 0.552 ' O ' HG12 ' A' ' 294' ' ' VAL . 87.6 t -146.33 61.53 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.587 1.179 . . . . 1.93 109.346 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 295' ' ' GLY . . . . . 0.475 ' O ' ' CB ' ' A' ' 296' ' ' ASN . . . 64.73 71.54 0.85 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.544 1.152 . . . . 3.07 110.97 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 296' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 295' ' ' GLY . 1.9 t30 80.05 -2.93 1.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 3.66 109.292 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.616 ' HA ' HG23 ' A' ' 310' ' ' VAL . 3.5 mtpp -103.53 162.0 13.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 2.75 109.34 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 298' ' ' ILE . . . . . 0.613 HG21 ' CZ ' ' A' ' 300' ' ' PHE . 5.2 mt -140.2 157.01 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 2.23 109.364 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 299' ' ' PHE . . . . . 0.849 ' CD1' HD23 ' A' ' 308' ' ' LEU . 63.2 m-85 -151.37 114.21 4.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 2.2 110.99 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 300' ' ' PHE . . . . . 0.613 ' CZ ' HG21 ' A' ' 298' ' ' ILE . 21.8 m-85 -110.45 152.62 26.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 2.76 111.001 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 301' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 301' ' ' PHE . 4.8 m-85 -136.96 163.58 30.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 3.18 110.993 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 302' ' ' LYS . . . . . 0.495 ' HG3' ' CH2' ' A' ' 307' ' ' TRP . 0.9 OUTLIER -147.14 96.4 2.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 2.89 109.32 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.21 -82.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.417 1.073 . . . . 3.41 109.286 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.3 -12.81 7.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 6.22 110.303 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 305' ' ' PHE . . . . . 0.404 ' CE1' HG12 ' A' ' 318' ' ' VAL . 0.1 OUTLIER -81.4 130.76 35.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 3.66 111.054 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 306' ' ' PHE . . . . . 0.537 ' CD2' ' ND2' ' A' ' 319' ' ' ASN . 0.9 OUTLIER -112.37 106.55 15.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 3.77 110.952 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 307' ' ' TRP . . . . . 0.615 ' CZ2' ' CG ' ' A' ' 279' ' ' PRO . 26.2 m0 -95.99 169.9 9.66 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.973 -1.121 . . . . 3.74 107.973 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.849 HD23 ' CD1' ' A' ' 299' ' ' PHE . 2.2 tm? -149.97 129.39 12.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 1.87 109.353 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 309' ' ' LYS . . . . . 0.455 ' HG2' HG22 ' A' ' 316' ' ' THR . 4.7 tmtt? -139.19 128.18 23.69 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 3.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 310' ' ' VAL . . . . . 0.648 HG22 ' H ' ' A' ' 311' ' ' SER . 5.3 p -153.98 176.56 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 2.62 109.271 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 311' ' ' SER . . . . . 0.648 ' H ' HG22 ' A' ' 310' ' ' VAL . 46.8 t 35.97 -153.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 4.4 110.005 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 312' ' ' GLU . . . . . 0.537 ' O ' ' C ' ' A' ' 313' ' ' ARG . 5.3 pt-20 -90.95 13.93 15.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 6.32 110.249 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 313' ' ' ARG . . . . . 0.537 ' C ' ' O ' ' A' ' 312' ' ' GLU . 0.1 OUTLIER -27.56 120.53 0.25 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 4.98 110.284 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 2.47 6.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.452 1.764 . . . . 3.04 110.969 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -162.11 160.44 27.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 3.51 109.309 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 316' ' ' THR . . . . . 0.455 HG22 ' HG2' ' A' ' 309' ' ' LYS . 7.1 p -107.41 151.57 25.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 1.57 110.438 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 22.8 t -83.69 160.34 21.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 2.62 110.03 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 318' ' ' VAL . . . . . 0.404 HG12 ' CE1' ' A' ' 305' ' ' PHE . 5.6 t -131.48 79.14 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 2.96 109.305 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 319' ' ' ASN . . . . . 0.537 ' ND2' ' CD2' ' A' ' 306' ' ' PHE . 4.4 p-10 -111.49 -176.89 3.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 5.01 109.27 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.06 160.21 24.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 2.06 109.27 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 321' ' ' ILE . . . . . 0.505 HG22 ' N ' ' A' ' 322' ' ' SER . 1.9 mp -59.44 -81.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 1.42 109.307 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 322' ' ' SER . . . . . 0.505 ' N ' HG22 ' A' ' 321' ' ' ILE . 9.4 p -41.86 -34.92 0.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 2.02 109.952 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 323' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 322' ' ' SER . 0.1 OUTLIER -37.28 -46.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 1.36 110.02 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 1.9 mp -107.43 -66.75 1.0 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.433 1.083 . . . . 1.77 109.283 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 325' ' ' TRP . . . . . 0.802 ' HB3' HD23 ' A' ' 328' ' ' LEU . 0.9 OUTLIER -52.13 144.57 20.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 1.74 108.057 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -88.65 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.518 1.799 . . . . 1.1 110.954 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 327' ' ' THR . . . . . 0.782 ' O ' HD22 ' A' ' 328' ' ' LEU . 3.3 t -101.2 95.3 6.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.168 . . . . 1.64 110.412 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.803 HD21 ' HG3' ' A' ' 360' ' ' PRO . 3.6 mm? -141.46 144.08 32.39 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 1.82 109.3 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 329' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 328' ' ' LEU . 18.2 Cg_endo -75.04 162.65 36.69 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.592 1.838 . . . . 1.81 111.044 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 3.2 p -102.42 144.49 30.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.624 1.203 . . . . 3.06 109.979 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 73.55 60.69 3.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.457 1.098 . . . . 1.23 111.054 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.533 HD13 HD22 ' A' ' 346' ' ' LEU . 25.8 mt -53.25 139.2 11.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 1.73 109.306 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -82.3 -51.56 7.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.073 . . . . 2.54 110.286 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -144.73 115.32 7.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.8 109.297 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -104.25 124.42 49.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 1.03 109.328 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 336' ' ' TYR . . . . . 0.63 ' CZ ' ' CB ' ' A' ' 345' ' ' PHE . 23.4 p90 -136.76 -179.81 5.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.441 1.088 . . . . 4.49 110.982 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.75 152.92 47.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 3.85 110.275 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 338' ' ' ILE . . . . . 0.701 HD12 ' CE1' ' A' ' 345' ' ' PHE . 98.1 mt -112.32 88.49 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 4.68 109.307 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.17 66.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 3.64 110.355 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 340' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 338' ' ' ILE . . . -139.42 -68.37 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 2.29 109.31 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -110.4 16.3 21.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 3.4 110.291 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 4.3 t30 59.91 80.57 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 2.42 109.298 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -131.82 174.65 9.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 3.76 110.301 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 344' ' ' VAL . . . . . 0.471 ' O ' ' CD1' ' A' ' 345' ' ' PHE . 74.3 t -139.56 154.73 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 1.24 109.313 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 345' ' ' PHE . . . . . 0.701 ' CE1' HD12 ' A' ' 338' ' ' ILE . 52.8 m-85 -153.26 140.84 19.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 2.87 110.945 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 0.533 HD22 HD13 ' A' ' 332' ' ' ILE . 9.1 mt -133.08 109.06 9.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 2.88 109.279 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 347' ' ' PHE . . . . . 0.515 ' CE2' ' CE1' ' A' ' 336' ' ' TYR . 13.4 m-85 -80.71 145.97 31.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 2.38 110.979 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 348' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.0 OUTLIER -163.51 121.31 1.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.421 1.076 . . . . 3.17 109.29 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.8 t0 55.15 -151.84 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 3.12 109.298 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 350' ' ' ASP . . . . . 0.437 ' O ' ' CG ' ' A' ' 350' ' ' ASP . 2.1 p-10 -86.09 41.77 0.94 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.461 1.101 . . . . 2.7 109.312 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 19.7 mtmt -155.37 150.09 26.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 1.59 109.285 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 352' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 366' ' ' LYS . 51.0 p90 -145.5 125.65 13.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.401 1.063 . . . . 2.75 110.988 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -90.45 155.75 18.7 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.941 -1.133 . . . . 4.02 107.941 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 354' ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' ' 355' ' ' ILE . 0.1 OUTLIER -117.9 126.66 52.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 1.79 109.244 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.456 ' N ' HD12 ' A' ' 354' ' ' LEU . 1.2 mp -96.44 98.9 8.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 1.52 109.294 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 45.6 t -100.71 118.82 37.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 1.88 110.03 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 60.29 45.97 10.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.097 . . . . 3.66 109.247 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.66 33.76 23.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 2.91 109.267 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.81 116.57 5.32 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 4.69 110.278 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 360' ' ' PRO . . . . . 0.803 ' HG3' HD21 ' A' ' 328' ' ' LEU . 18.4 Cg_endo -74.94 108.06 2.63 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.433 1.754 . . . . 1.93 111.084 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 361' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 360' ' ' PRO . 21.6 mm-40 -38.36 123.01 1.11 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 2.42 110.377 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 135.38 19.05 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.532 1.806 . . . . 2.05 111.022 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 363' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 64.67 60.76 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 3.97 109.319 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 364' ' ' TYR . . . . . 0.564 ' CD2' ' HD2' ' A' ' 366' ' ' LYS . 0.1 OUTLIER -134.46 59.05 33.85 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 3.01 111.045 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 365' ' ' PRO . . . . . 0.488 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -75.06 51.96 2.95 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.516 1.798 . . . . 1.34 110.996 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 366' ' ' LYS . . . . . 0.567 ' HB3' ' CE1' ' A' ' 352' ' ' TYR . 0.1 OUTLIER -57.28 158.3 5.56 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 1.6 109.31 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 2.0 m -135.96 130.68 34.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 1.75 110.0 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 368' ' ' ILE . . . . . 0.688 ' CD1' HG21 ' A' ' 377' ' ' VAL . 43.9 pt -54.16 -32.57 23.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.407 1.067 . . . . 1.66 109.273 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -67.57 -33.26 74.67 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.535 1.147 . . . . 2.75 109.542 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 370' ' ' SER . . . . . 0.505 ' O ' ' CG ' ' A' ' 371' ' ' PHE . 0.1 OUTLIER -56.43 -17.27 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 2.34 109.987 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 371' ' ' PHE . . . . . 0.505 ' CG ' ' O ' ' A' ' 370' ' ' SER . 88.5 m-85 -162.91 53.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 7.05 110.959 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . -151.38 -59.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.517 1.136 . . . . 3.02 111.049 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 373' ' ' PHE . . . . . 0.44 ' N ' ' HD3' ' A' ' 374' ' ' PRO . 2.1 t80 49.4 61.48 13.82 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.496 0.762 . . . . 7.22 110.927 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 374' ' ' PRO . . . . . 0.44 ' HD3' ' N ' ' A' ' 373' ' ' PHE . 18.0 Cg_endo -74.96 -163.14 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.485 1.782 . . . . 2.23 111.055 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -85.2 -45.74 11.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 6.4 109.298 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -168.99 83.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 4.68 111.03 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 377' ' ' VAL . . . . . 0.688 HG21 ' CD1' ' A' ' 368' ' ' ILE . 7.1 p -94.61 168.4 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 2.44 109.287 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 378' ' ' LYS . . . . . 0.454 ' HG2' ' N ' ' A' ' 379' ' ' LYS . 0.0 OUTLIER -178.22 -35.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.148 . . . . 6.14 109.362 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 379' ' ' LYS . . . . . 0.454 ' N ' ' HG2' ' A' ' 378' ' ' LYS . 0.0 OUTLIER -159.01 134.36 8.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 2.04 109.372 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 17.6 mt -91.71 139.51 17.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 1.14 109.273 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.74 -53.32 6.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 2.04 109.315 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 382' ' ' ALA . . . . . 0.768 ' HB1' HG22 ' A' ' 432' ' ' VAL . . . -159.2 166.88 30.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.8 109.312 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -156.26 125.46 6.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.86 109.319 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 384' ' ' VAL . . . . . 0.68 ' HB ' HG23 ' A' ' 432' ' ' VAL . 12.1 p -126.94 154.29 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 2.17 109.339 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -114.39 117.9 32.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 2.7 110.936 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -97.49 117.6 65.26 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 3.15 109.304 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.12 -20.39 16.68 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.5 1.79 . . . . 2.2 110.953 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -38.17 36.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.472 1.108 . . . . 3.04 110.292 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.08 -6.53 28.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.068 . . . . 3.16 110.936 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 47.61 43.0 15.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 4.93 110.993 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 391' ' ' ARG . . . . . 0.461 ' CZ ' ' OD1' ' A' ' 404' ' ' ASP . 12.4 mtt180 -144.79 154.31 42.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 3.03 110.322 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 86.0 m -110.12 118.61 36.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 1.24 110.397 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -83.33 123.76 29.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 2.72 111.056 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -110.11 133.71 52.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 2.29 111.026 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 395' ' ' PHE . . . . . 0.711 ' HE2' HG21 ' A' ' 432' ' ' VAL . 65.7 m-85 -114.36 129.7 56.66 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.56 1.163 . . . . 1.17 111.073 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 96.5 t -118.32 87.74 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 1.72 109.314 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.84 -70.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 4.44 109.29 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -148.53 58.29 1.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 3.74 109.262 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -144.46 157.29 44.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 3.62 110.304 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 400' ' ' TYR . . . . . 0.416 ' O ' ' CG ' ' A' ' 400' ' ' TYR . 21.7 t80 -122.87 87.31 2.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 2.26 111.036 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 401' ' ' TRP . . . . . 0.573 ' CH2' ' O ' ' A' ' 411' ' ' ASP . 0.0 OUTLIER -82.76 166.91 18.66 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.996 -1.113 . . . . 6.16 107.996 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -155.22 110.21 3.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.403 1.064 . . . . 2.67 110.33 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 403' ' ' TYR . . . . . 0.535 ' CE1' ' O ' ' A' ' 404' ' ' ASP . 3.4 t80 -100.51 142.66 31.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 6.3 111.018 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 404' ' ' ASP . . . . . 0.535 ' O ' ' CE1' ' A' ' 403' ' ' TYR . 0.7 OUTLIER -78.99 120.51 23.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 1.76 109.288 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -97.26 -44.12 7.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 3.06 110.267 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.36 8.68 12.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 6.31 110.287 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 407' ' ' ARG . . . . . 0.432 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.6 OUTLIER -131.13 -44.69 1.03 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.447 1.092 . . . . 5.24 110.288 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 408' ' ' GLN . . . . . 0.432 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 0.9 OUTLIER 80.93 54.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 3.62 110.321 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -152.65 98.28 2.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 3.14 110.994 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.68 126.27 26.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 2.35 111.003 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 411' ' ' ASP . . . . . 0.573 ' O ' ' CH2' ' A' ' 401' ' ' TRP . 1.5 m-20 -54.38 131.55 62.19 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 2.59 109.33 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 117.02 4.77 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 2.32 111.071 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 45.92 94.94 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.474 1.109 . . . . 1.99 110.995 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 414' ' ' TYR . . . . . 0.543 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 2.0 t80 -132.33 62.56 63.94 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.78 . . . . 1.83 110.981 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 415' ' ' PRO . . . . . 0.429 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.4 Cg_endo -74.99 72.74 4.54 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.526 1.803 . . . . 2.0 111.0 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 416' ' ' LYS . . . . . 0.543 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 3.3 mmtt -90.02 -171.46 3.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 2.95 109.289 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 1.3 mt -138.2 144.96 40.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 2.69 109.326 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.57 HG12 ' CD1' ' A' ' 395' ' ' PHE . 2.4 mp -69.15 -67.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 1.17 109.282 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 7.4 t -42.0 -33.18 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 1.29 110.383 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -70.01 -69.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 2.03 109.277 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 421' ' ' ASN . . . . . 0.45 ' ND2' ' CZ ' ' A' ' 422' ' ' PHE . 6.0 t30 -44.86 -43.81 9.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 2.22 109.399 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 422' ' ' PHE . . . . . 0.488 ' CB ' HD13 ' A' ' 425' ' ' ILE . 51.8 m-85 -132.9 112.69 12.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 2.35 110.973 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -86.82 121.23 29.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 2.26 110.339 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 424' ' ' GLY . . . . . 0.59 ' HA3' HD12 ' A' ' 458' ' ' ILE . . . 133.97 -29.71 3.05 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.476 1.11 . . . . 1.59 111.019 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 425' ' ' ILE . . . . . 0.488 HD13 ' CB ' ' A' ' 422' ' ' PHE . 3.8 mp -73.37 -76.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 2.61 109.344 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 151.74 162.7 10.96 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.586 1.179 . . . . 0.88 111.004 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -15.06 20.92 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.447 1.762 . . . . 1.17 110.96 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.485 ' O ' ' CG ' ' A' ' 444' ' ' GLN . 8.3 mttt -131.79 132.63 43.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 2.71 109.33 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 429' ' ' ILE . . . . . 0.587 HD11 ' CD1' ' A' ' 442' ' ' PHE . 1.0 OUTLIER -121.21 159.42 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 1.54 109.326 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -107.38 -63.34 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 2.26 109.315 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -141.54 146.49 36.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.83 109.342 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.768 HG22 ' HB1' ' A' ' 382' ' ' ALA . 10.9 m -137.71 145.41 29.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 2.84 109.335 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 433' ' ' PHE . . . . . 0.566 ' CZ ' ' CB ' ' A' ' 441' ' ' TYR . 6.0 p90 -155.09 176.76 12.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 2.75 111.068 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -146.09 88.45 1.81 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.528 1.143 . . . . 3.7 111.053 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 435' ' ' SER . . . . . 0.62 ' CB ' HG21 ' A' ' 293' ' ' THR . 0.1 OUTLIER -114.52 -12.78 12.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 2.85 109.976 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 436' ' ' LYS . . . . . 0.506 ' HE2' ' CE1' ' A' ' 441' ' ' TYR . 28.5 mmmt -69.33 -166.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.556 1.16 . . . . 4.11 109.297 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -96.5 -38.87 9.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 3.45 109.221 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.64 50.42 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 3.09 109.277 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -145.99 161.7 39.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 2.47 110.99 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -124.7 105.86 9.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 3.1 110.97 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 441' ' ' TYR . . . . . 0.566 ' CB ' ' CZ ' ' A' ' 433' ' ' PHE . 3.2 m-30 -86.43 102.56 14.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 3.21 110.995 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 442' ' ' PHE . . . . . 0.671 ' HD1' HG12 ' A' ' 432' ' ' VAL . 35.9 m-85 -98.13 144.98 27.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 3.32 111.007 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 443' ' ' PHE . . . . . 0.635 ' CE2' ' NE2' ' A' ' 448' ' ' GLN . 2.7 m-85 -120.88 118.92 31.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 3.94 110.959 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 444' ' ' GLN . . . . . 0.485 ' CG ' ' O ' ' A' ' 428' ' ' LYS . 3.9 tm0? -133.02 77.22 1.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 3.58 110.274 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 100.31 -106.79 3.2 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.406 1.067 . . . . 1.69 111.004 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 27.1 p -127.7 31.57 5.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 0.735 . . . . 2.42 110.019 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -142.42 130.44 21.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 2.45 109.336 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 448' ' ' GLN . . . . . 0.635 ' NE2' ' CE2' ' A' ' 443' ' ' PHE . 44.8 tt0 -111.52 117.31 32.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 2.47 110.3 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 449' ' ' PHE . . . . . 0.501 ' CD1' HG22 ' A' ' 461' ' ' THR . 55.6 m-85 -105.02 142.91 33.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 2.9 111.035 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -110.25 126.96 54.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 3.93 110.316 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -108.22 121.52 45.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.386 1.054 . . . . 3.4 110.962 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -111.59 126.46 55.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 3.01 109.225 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -70.58 -11.72 61.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 3.22 110.959 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 14.7 tp -43.71 -38.46 3.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 2.5 109.284 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -167.43 31.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 2.18 109.293 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 41.25 68.04 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 2.88 110.306 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -142.51 132.58 24.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.537 1.148 . . . . 3.55 110.307 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 458' ' ' ILE . . . . . 0.59 HD12 ' HA3' ' A' ' 424' ' ' GLY . 88.2 mt -94.65 82.87 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.411 1.07 . . . . 1.92 109.275 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 10.2 t -102.22 36.01 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 4.32 110.476 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.61 109.95 3.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.152 . . . . 3.61 109.326 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 461' ' ' THR . . . . . 0.501 HG22 ' CD1' ' A' ' 449' ' ' PHE . 7.5 p -124.93 109.59 13.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 2.23 110.454 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 462' ' ' LEU . . . . . 0.885 HD12 ' HB3' ' A' ' 466' ' ' SER . 1.4 pt? -131.77 155.85 47.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 2.46 109.376 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -93.29 156.54 16.75 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.461 1.1 . . . . 2.58 109.259 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 464' ' ' SER . . . . . 0.449 ' HB2' ' CE1' ' A' ' 443' ' ' PHE . 1.9 t -48.74 -28.01 3.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 1.96 109.949 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -100.25 58.85 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 3.52 109.299 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 466' ' ' SER . . . . . 0.885 ' HB3' HD12 ' A' ' 462' ' ' LEU . 11.4 t -113.56 -21.88 10.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 2.64 110.056 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -138.96 -59.87 0.59 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.552 1.158 . . . . 5.08 108.006 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 468' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -52.26 -61.41 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.603 1.19 . . . . 10.31 110.984 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -84.98 -82.1 1.06 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.544 1.152 . . . . 4.53 110.995 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 470' ' ' CYS . . . . . 1.055 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 40.9 m . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 108.289 -1.004 . . . . 5.92 108.289 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 471' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 277' ' ' MET . . . . . 0.559 ' HB3' ' CD2' ' A' ' 305' ' ' PHE . 15.1 tpt . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.541 0.21 . . . . 8.01 111.012 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -106.52 106.34 57.3 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 6.32 110.309 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 279' ' ' PRO . . . . . 0.615 ' O ' ' HB2' ' A' ' 280' ' ' ALA . 18.3 Cg_endo -74.98 -76.33 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 3.67 111.005 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 280' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 279' ' ' PRO . . . 168.65 119.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 3.38 109.358 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 281' ' ' LEU . . . . . . . . . . . . . 7.8 mt -101.73 77.43 1.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 2.51 109.247 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 282' ' ' CYS . . . . . 1.069 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 0.1 OUTLIER 174.94 -76.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 3.63 108.33 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -58.94 142.37 85.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 2.8 109.315 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.14 78.37 2.95 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.478 1.778 . . . . 1.91 110.975 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -154.18 34.35 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 2.81 109.313 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 286' ' ' LEU . . . . . 0.581 ' CD2' ' CZ ' ' A' ' 288' ' ' PHE . 6.4 tt -104.27 143.68 32.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 2.7 109.314 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 73.6 p -142.34 157.05 45.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.43 109.997 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 288' ' ' PHE . . . . . 0.581 ' CZ ' ' CD2' ' A' ' 286' ' ' LEU . 81.9 m-85 -127.02 151.88 48.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 2.51 110.996 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 289' ' ' ASP . . . . . 0.734 ' O ' 'CA ' ' A' ' 471' ' ' ' CA' . 5.7 m-20 -87.72 -50.23 6.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 2.42 109.274 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 290' ' ' ALA . . . . . 0.675 ' HB2' ' O ' ' A' ' 332' ' ' ILE . . . -142.27 169.21 18.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.77 109.295 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 291' ' ' VAL . . . . . 0.474 HG13 ' O ' ' A' ' 290' ' ' ALA . 6.6 m -153.41 139.46 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 1.96 109.304 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 22.9 m -138.72 144.16 39.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 2.44 110.425 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 14.8 t -106.87 146.74 30.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 2.11 110.444 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 92.6 t -136.39 112.26 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 2.17 109.218 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 55.6 -94.2 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.446 1.091 . . . . 1.73 110.993 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -128.82 29.27 5.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 0.774 . . . . 3.46 109.326 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.467 ' HA ' HG21 ' A' ' 310' ' ' VAL . 3.0 mppt? -129.74 169.28 15.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 2.81 109.341 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 298' ' ' ILE . . . . . 0.875 ' H ' HG11 ' A' ' 310' ' ' VAL . 1.6 pt -132.01 167.9 25.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.582 1.176 . . . . 2.33 109.293 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -145.7 133.65 21.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 2.36 111.002 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 300' ' ' PHE . . . . . 0.479 ' HB3' ' CE1' ' A' ' 288' ' ' PHE . 57.7 m-85 -112.14 113.9 26.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 2.39 110.986 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -84.97 132.79 34.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.46 1.1 . . . . 2.29 111.043 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 302' ' ' LYS . . . . . 0.495 ' HG3' ' CE3' ' A' ' 307' ' ' TRP . 1.8 mmmm -131.47 72.99 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 5.3 109.261 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 42.7 t0 67.41 -68.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 3.15 109.303 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 304' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 302' ' ' LYS . 0.0 OUTLIER -133.08 -32.92 1.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 4.1 110.293 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 305' ' ' PHE . . . . . 0.559 ' CD2' ' HB3' ' A' ' 277' ' ' MET . 56.5 m-85 -86.62 145.2 26.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 2.5 111.007 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 306' ' ' PHE . . . . . 0.56 ' CZ ' ' HB2' ' A' ' 319' ' ' ASN . 30.5 p90 -124.93 141.47 52.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 1.89 110.951 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 307' ' ' TRP . . . . . 0.495 ' CE3' ' HG3' ' A' ' 302' ' ' LYS . 1.3 m-90 -97.9 142.64 29.39 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.981 -1.118 . . . . 4.6 107.981 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.472 HD22 ' HA ' ' A' ' 308' ' ' LEU . 0.2 OUTLIER -125.11 116.59 22.3 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.507 1.129 . . . . 1.85 109.272 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 309' ' ' LYS . . . . . 0.608 ' CB ' HG22 ' A' ' 316' ' ' THR . 0.4 OUTLIER -171.47 102.21 0.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.395 1.059 . . . . 3.23 109.281 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 310' ' ' VAL . . . . . 0.875 HG11 ' H ' ' A' ' 298' ' ' ILE . 5.5 p -172.43 163.5 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 124.437 1.086 . . . . 2.09 109.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 311' ' ' SER . . . . . 0.472 ' N ' HG22 ' A' ' 310' ' ' VAL . 24.5 t 68.71 -74.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.138 . . . . 3.8 110.027 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -157.55 78.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 5.1 110.305 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.43 134.58 23.43 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.632 1.207 . . . . 4.74 110.304 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -38.79 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.559 1.82 . . . . 2.23 110.995 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.01 159.15 44.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 4.05 109.308 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 316' ' ' THR . . . . . 0.608 HG22 ' CB ' ' A' ' 309' ' ' LYS . 80.7 p -79.52 128.77 33.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 1.2 110.456 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.81 170.97 15.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 1.9 110.02 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 318' ' ' VAL . . . . . 0.59 ' O ' HG12 ' A' ' 318' ' ' VAL . 19.4 t -145.59 79.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 1.96 109.384 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 319' ' ' ASN . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 306' ' ' PHE . 2.9 m120 -110.17 176.56 5.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 1.92 109.321 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.84 120.23 40.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 2.05 109.303 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 321' ' ' ILE . . . . . 0.613 HD12 ' HB3' ' A' ' 330' ' ' SER . 71.9 mt -42.12 -59.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 1.58 109.268 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.24 -42.46 9.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.16 . . . . 2.87 109.984 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.88 -31.6 50.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 1.73 110.026 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 324' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 321' ' ' ILE . 0.4 OUTLIER -94.61 -83.94 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 2.81 109.263 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 325' ' ' TRP . . . . . 0.612 ' CE3' HD12 ' A' ' 328' ' ' LEU . 0.1 OUTLIER -49.2 148.61 4.21 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 107.994 -1.113 . . . . 2.06 107.994 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 326' ' ' PRO . . . . . 0.441 ' HG2' ' CG ' ' A' ' 360' ' ' PRO . 18.4 Cg_endo -75.02 -90.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.519 1.8 . . . . 0.95 111.002 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 327' ' ' THR . . . . . . . . . . . . . 12.7 t -92.04 -0.28 57.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 1.83 110.343 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 1.137 HD21 HD11 ' A' ' 355' ' ' ILE . 0.2 OUTLIER -62.78 132.19 94.65 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 2.19 109.249 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 329' ' ' PRO . . . . . 0.966 ' HD2' HD13 ' A' ' 328' ' ' LEU . 18.2 Cg_endo -75.03 -173.23 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.508 1.794 . . . . 3.25 110.999 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 330' ' ' SER . . . . . 0.613 ' HB3' HD12 ' A' ' 321' ' ' ILE . 1.5 m -140.54 172.17 13.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 3.62 110.013 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 51.3 51.04 38.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.507 1.13 . . . . 2.11 110.98 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.675 ' O ' ' HB2' ' A' ' 290' ' ' ALA . 2.4 mp -67.52 156.41 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 0.736 . . . . 1.86 109.301 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -84.86 -50.28 7.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 2.8 110.312 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 334' ' ' ALA . . . . . 0.739 ' HB1' ' HB3' ' A' ' 383' ' ' ALA . . . -139.08 122.25 16.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 1.34 109.282 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -138.01 144.06 40.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 1.33 109.358 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 336' ' ' TYR . . . . . 0.982 ' OH ' HD11 ' A' ' 338' ' ' ILE . 3.1 p90 -155.41 133.09 11.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 2.89 110.982 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.05 144.34 29.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 4.0 110.219 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 338' ' ' ILE . . . . . 0.982 HD11 ' OH ' ' A' ' 336' ' ' TYR . 95.4 mt -116.37 88.52 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.569 1.168 . . . . 3.56 109.252 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.98 86.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 3.59 110.279 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -159.28 -52.0 0.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.421 1.076 . . . . 1.9 109.262 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -116.93 8.77 13.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 7.16 110.309 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 64.6 t30 57.48 68.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 2.59 109.373 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -145.09 151.56 38.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 3.08 110.295 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 344' ' ' VAL . . . . . 0.632 HG12 ' CD2' ' A' ' 346' ' ' LEU . 20.0 t -102.77 149.95 6.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.111 . . . . 1.31 109.319 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 345' ' ' PHE . . . . . 0.926 ' CE1' HD12 ' A' ' 338' ' ' ILE . 79.8 m-85 -136.05 128.04 29.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 4.12 111.071 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 0.831 HD11 HD11 ' A' ' 328' ' ' LEU . 0.2 OUTLIER -154.55 133.04 12.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 2.26 109.287 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 347' ' ' PHE . . . . . 0.595 ' CD1' ' N ' ' A' ' 347' ' ' PHE . 0.3 OUTLIER -135.04 60.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 4.27 111.08 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 348' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 350' ' ' ASP . 0.2 OUTLIER -50.17 150.47 2.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 2.81 109.221 -179.873 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 349' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 378' ' ' LYS . 1.2 m-20 44.56 -95.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 4.2 109.371 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 350' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 348' ' ' LYS . 2.9 p30 -141.59 15.82 2.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 3.41 109.323 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -120.78 138.18 54.15 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 2.37 109.311 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 352' ' ' TYR . . . . . 0.55 ' CB ' ' CD2' ' A' ' 347' ' ' PHE . 43.4 p90 -138.0 157.95 45.32 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.538 1.148 . . . . 3.33 110.989 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 353' ' ' TRP . . . . . 0.505 ' CH2' ' HG3' ' A' ' 329' ' ' PRO . 5.6 m-90 -127.55 165.59 19.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 4.81 108.052 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 354' ' ' LEU . . . . . 0.571 HD11 ' OG ' ' A' ' 356' ' ' SER . 0.1 OUTLIER -124.05 118.39 26.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 2.41 109.355 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 1.137 HD11 HD21 ' A' ' 328' ' ' LEU . 1.9 mp -98.77 105.34 17.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 1.57 109.261 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 356' ' ' SER . . . . . 0.571 ' OG ' HD11 ' A' ' 354' ' ' LEU . 0.7 OUTLIER -114.89 117.21 30.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.57 1.169 . . . . 2.39 109.95 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 357' ' ' ASN . . . . . 0.413 ' O ' HD23 ' A' ' 358' ' ' LEU . 28.4 t30 71.08 50.97 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 4.15 109.302 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 358' ' ' LEU . . . . . 0.413 HD23 ' O ' ' A' ' 357' ' ' ASN . 0.3 OUTLIER 51.23 23.44 1.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 3.13 109.332 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 359' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 356' ' ' SER . 0.1 OUTLIER -139.17 133.0 15.97 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 4.83 110.345 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 360' ' ' PRO . . . . . 0.595 ' HB3' HD23 ' A' ' 328' ' ' LEU . 18.3 Cg_endo -75.03 176.54 9.79 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.541 1.811 . . . . 1.65 110.944 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 361' ' ' GLU . . . . . 0.597 ' OE1' ' CE1' ' A' ' 364' ' ' TYR . 0.7 OUTLIER -80.54 152.74 73.12 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.541 1.151 . . . . 3.12 110.342 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 362' ' ' PRO . . . . . 0.451 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.1 Cg_endo -74.97 70.01 5.38 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.481 1.78 . . . . 2.03 110.958 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 363' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 0.7 OUTLIER 78.68 91.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 4.58 109.267 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 364' ' ' TYR . . . . . 0.597 ' CE1' ' OE1' ' A' ' 361' ' ' GLU . 0.1 OUTLIER -125.28 67.89 56.89 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 3.07 110.969 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 365' ' ' PRO . . . . . 0.439 ' HD3' ' C ' ' A' ' 363' ' ' ASN . 17.9 Cg_endo -75.04 56.41 4.27 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.562 1.822 . . . . 1.63 110.938 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 366' ' ' LYS . . . . . 0.575 ' HE3' ' CD1' ' A' ' 364' ' ' TYR . 18.3 mmtt -79.84 170.66 16.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 3.26 109.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 367' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 350' ' ' ASP . 0.5 OUTLIER -139.43 133.57 31.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 2.68 110.005 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 42.5 pt -54.02 -20.41 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 1.63 109.274 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 369' ' ' HIS . . . . . 0.484 ' C ' ' CD2' ' A' ' 369' ' ' HIS . 0.4 OUTLIER -60.92 -14.59 23.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 3.67 109.553 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 45.4 m -63.0 -14.36 46.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 2.54 110.034 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 175.08 66.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 6.3 110.985 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 372' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 374' ' ' PRO . . . -178.47 -60.77 0.07 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.547 1.154 . . . . 2.8 110.988 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 373' ' ' PHE . . . . . 0.592 ' CZ ' ' HA ' ' A' ' 375' ' ' ASN . 25.7 t80 -35.17 95.79 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.449 0.735 . . . . 5.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 374' ' ' PRO . . . . . 0.532 ' O ' ' CB ' ' A' ' 375' ' ' ASN . 18.3 Cg_endo -75.03 8.96 2.19 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.517 1.799 . . . . 2.35 111.01 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 375' ' ' ASN . . . . . 0.592 ' HA ' ' CZ ' ' A' ' 373' ' ' PHE . 9.3 t30 84.1 29.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 6.81 109.372 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -151.94 -59.92 0.16 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 5.32 111.031 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 377' ' ' VAL . . . . . 0.52 HG12 ' N ' ' A' ' 378' ' ' LYS . 84.3 t -49.68 166.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 2.66 109.34 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 378' ' ' LYS . . . . . 0.52 ' N ' HG12 ' A' ' 377' ' ' VAL . 0.0 OUTLIER -175.22 -39.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 3.64 109.246 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.44 124.56 32.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 2.55 109.304 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 380' ' ' ILE . . . . . 0.479 HG22 ' N ' ' A' ' 381' ' ' ASP . 7.7 mt -93.09 165.48 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 1.07 109.36 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 381' ' ' ASP . . . . . 0.479 ' N ' HG22 ' A' ' 380' ' ' ILE . 1.5 m-20 -109.4 -44.01 3.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 2.27 109.285 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 382' ' ' ALA . . . . . 0.688 ' HB1' HG12 ' A' ' 432' ' ' VAL . . . -156.52 163.82 38.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 1.06 109.354 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 383' ' ' ALA . . . . . 0.739 ' HB3' ' HB1' ' A' ' 334' ' ' ALA . . . -161.65 121.75 2.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.85 109.266 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 384' ' ' VAL . . . . . 0.745 ' CG2' HG13 ' A' ' 432' ' ' VAL . 20.0 t -133.13 151.56 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 2.22 109.265 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 385' ' ' PHE . . . . . 0.503 ' HB2' ' CE2' ' A' ' 336' ' ' TYR . 31.7 t80 -98.7 149.55 22.71 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.503 1.127 . . . . 1.76 110.96 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -130.26 103.6 16.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 2.16 109.332 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -17.31 19.73 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.782 . . . . 1.89 111.03 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -80.3 -22.81 41.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 2.03 110.32 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -121.05 5.23 10.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 3.31 111.036 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 46.78 37.84 5.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.168 . . . . 2.63 111.061 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -144.14 164.46 30.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 3.35 110.341 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 392' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 384' ' ' VAL . 13.9 m -125.89 130.07 50.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.9 110.415 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -79.96 137.06 36.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 2.13 110.994 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 394' ' ' PHE . . . . . 0.438 ' CD2' ' CD1' ' A' ' 403' ' ' TYR . 2.7 m-85 -120.25 100.64 7.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 2.06 110.971 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -82.93 113.74 20.74 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.485 1.116 . . . . 1.3 110.996 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 45.1 t -138.21 125.89 29.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.165 . . . . 1.48 109.32 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 4.6 t0 51.08 -152.67 0.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 3.68 109.286 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -87.39 50.93 2.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 3.19 109.237 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 399' ' ' GLN . . . . . 0.648 ' O ' HD11 ' A' ' 418' ' ' ILE . 8.1 mp0 -147.09 159.55 43.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 3.03 110.309 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 400' ' ' TYR . . . . . 0.567 ' C ' ' CD1' ' A' ' 400' ' ' TYR . 0.1 OUTLIER -117.41 94.98 4.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 2.75 110.93 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 401' ' ' TRP . . . . . 0.447 ' CZ3' ' HB2' ' A' ' 399' ' ' GLN . 0.6 OUTLIER -92.2 156.84 17.05 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.928 -1.138 . . . . 5.87 107.928 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -153.4 128.35 9.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 3.05 110.305 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 403' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 410' ' ' MET . 5.2 m-85 -103.46 170.63 7.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 7.17 110.993 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -113.65 126.3 55.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 1.71 109.27 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -82.39 -46.9 12.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 2.82 110.312 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -63.4 -63.9 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 6.8 110.349 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -57.96 -38.56 76.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 2.94 110.291 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 70.26 46.71 0.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 2.77 110.285 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 8.0 tpt -152.46 114.89 4.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 2.87 111.018 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 410' ' ' MET . . . . . 0.56 ' HB3' ' CE2' ' A' ' 403' ' ' TYR . 0.0 OUTLIER -52.39 126.24 18.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 2.49 111.004 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -42.6 133.29 2.84 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 2.82 109.296 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 105.82 2.16 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.519 1.799 . . . . 2.51 110.999 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 55.44 97.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.452 1.095 . . . . 2.11 110.999 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 414' ' ' TYR . . . . . 0.461 ' N ' ' HD3' ' A' ' 415' ' ' PRO . 1.7 t80 -137.92 60.72 25.05 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 1.82 111.015 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 415' ' ' PRO . . . . . 0.461 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.2 Cg_endo -75.02 65.58 6.08 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 1.47 110.988 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -89.54 -178.89 5.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 2.65 109.316 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 417' ' ' LEU . . . . . 0.497 HD23 HG22 ' A' ' 419' ' ' THR . 0.0 OUTLIER -126.58 139.47 53.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 2.01 109.277 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.648 HD11 ' O ' ' A' ' 399' ' ' GLN . 3.7 mt -70.21 -71.56 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 1.04 109.298 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 419' ' ' THR . . . . . 0.497 HG22 HD23 ' A' ' 417' ' ' LEU . 6.3 t -40.66 -29.39 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.142 . . . . 1.3 110.454 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 420' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 418' ' ' ILE . 15.1 mttt -68.5 -69.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.67 109.345 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -46.79 -53.19 12.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 2.38 109.298 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 422' ' ' PHE . . . . . 0.663 ' O ' HD11 ' A' ' 425' ' ' ILE . 22.1 m-85 -122.44 111.0 16.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 3.03 111.006 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.97 69.96 1.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 3.1 110.309 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 424' ' ' GLY . . . . . 0.631 ' H ' HD13 ' A' ' 425' ' ' ILE . . . -161.41 25.23 0.25 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.462 1.101 . . . . 2.13 111.033 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 425' ' ' ILE . . . . . 0.785 ' N ' HD13 ' A' ' 425' ' ' ILE . 0.2 OUTLIER -147.99 -47.88 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 124.455 0.738 . . . . 2.11 109.308 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 426' ' ' GLY . . . . . 0.411 ' N ' HG12 ' A' ' 425' ' ' ILE . . . 128.82 176.09 14.3 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.496 1.122 . . . . 0.87 111.012 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -24.91 12.27 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.541 1.811 . . . . 1.29 111.012 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.475 ' C ' HD12 ' A' ' 429' ' ' ILE . 1.5 mmmm -127.08 138.27 53.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 2.35 109.315 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 429' ' ' ILE . . . . . 0.549 HD11 HG12 ' A' ' 425' ' ' ILE . 3.4 mp -133.88 129.37 54.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 2.91 109.304 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 430' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 443' ' ' PHE . 0.9 OUTLIER -54.31 -63.56 1.11 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 2.07 109.318 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -160.34 168.33 25.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 1.26 109.302 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.745 HG13 ' CG2' ' A' ' 384' ' ' VAL . 3.2 p -157.77 148.1 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 2.09 109.282 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 433' ' ' PHE . . . . . 0.452 ' CD1' ' N ' ' A' ' 433' ' ' PHE . 3.5 p90 -145.41 163.93 33.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 2.72 111.031 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -110.78 83.53 1.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 2.95 110.937 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 4.8 t -104.77 -23.14 13.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 2.56 110.023 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 436' ' ' LYS . . . . . 0.554 ' HD3' ' CE1' ' A' ' 441' ' ' TYR . 0.0 OUTLIER -67.93 -168.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 5.98 109.367 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -100.39 -21.76 15.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 5.03 109.266 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.22 51.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 3.62 109.254 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 439' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 452' ' ' ASP . 8.5 m-85 -142.4 166.27 25.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 3.0 110.994 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 440' ' ' TYR . . . . . 0.526 ' HB3' ' CE2' ' A' ' 442' ' ' PHE . 12.5 m-85 -125.83 104.99 8.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 3.19 111.032 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 441' ' ' TYR . . . . . 0.562 ' CE1' ' CG ' ' A' ' 450' ' ' GLU . 2.8 m-85 -91.19 96.62 10.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 2.76 110.977 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 442' ' ' PHE . . . . . 0.6 ' CD2' HG21 ' A' ' 425' ' ' ILE . 70.4 m-85 -96.21 145.77 25.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 3.17 111.026 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 443' ' ' PHE . . . . . 0.559 ' CZ ' ' CD ' ' A' ' 448' ' ' GLN . 0.3 OUTLIER -116.07 115.67 26.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 3.58 110.971 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -114.68 78.69 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 4.03 110.25 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 92.61 -86.76 1.21 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.123 . . . . 2.19 111.047 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 12.9 m -141.7 38.33 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 2.86 109.97 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -144.31 140.58 29.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 2.2 109.275 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 448' ' ' GLN . . . . . 0.559 ' CD ' ' CZ ' ' A' ' 443' ' ' PHE . 4.0 tt0 -113.04 110.49 20.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 3.13 110.28 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -91.91 139.91 30.2 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.605 1.191 . . . . 2.37 110.974 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 0.562 ' CG ' ' CE1' ' A' ' 441' ' ' TYR . 0.7 OUTLIER -104.48 76.17 1.28 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.49 1.119 . . . . 4.72 110.275 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -85.09 107.48 17.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.601 1.188 . . . . 3.05 110.997 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 452' ' ' ASP . . . . . 0.562 ' HB2' ' CE1' ' A' ' 439' ' ' TYR . 40.3 t0 -100.83 155.21 18.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 3.79 109.296 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 453' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 454' ' ' LEU . 47.0 t80 -84.32 -10.71 57.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 3.03 111.02 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 454' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 453' ' ' PHE . 14.8 tp -40.12 -44.76 1.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 2.49 109.267 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -168.72 32.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 1.95 109.275 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 45.57 66.33 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 2.78 110.303 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.7 140.04 29.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 3.27 110.277 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 4.6 mt -83.84 115.96 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 2.18 109.269 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 10.0 p -88.43 -47.51 8.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 3.07 110.363 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -128.11 165.1 21.03 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.111 . . . . 3.67 109.292 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 13.6 m -153.99 116.33 4.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 2.42 110.396 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 462' ' ' LEU . . . . . 0.797 HD22 ' HB2' ' A' ' 466' ' ' SER . 11.9 mt -86.49 178.89 6.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 3.67 109.353 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.35 58.66 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 6.17 109.309 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 464' ' ' SER . . . . . 0.406 ' O ' ' CG ' ' A' ' 465' ' ' ASN . 0.2 OUTLIER 42.51 31.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 3.13 110.005 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 465' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 464' ' ' SER . 31.6 m-80 -173.59 44.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 2.64 109.286 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 466' ' ' SER . . . . . 0.797 ' HB2' HD22 ' A' ' 462' ' ' LEU . 1.2 p -64.38 -35.2 80.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 3.85 109.999 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 467' ' ' TRP . . . . . 0.452 ' O ' ' C ' ' A' ' 468' ' ' PHE . 0.3 OUTLIER -165.31 -43.12 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.983 -1.117 . . . . 7.14 107.983 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 468' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' A' ' 467' ' ' TRP . 15.4 m-85 -33.58 -56.2 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 8.75 110.982 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -112.82 -84.56 1.36 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.52 1.138 . . . . 4.02 110.975 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 470' ' ' CYS . . . . . 1.069 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 1.4 m . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 108.276 -1.009 . . . . 3.45 108.276 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 471' ' ' ' CA' . . . . . 0.734 'CA ' ' O ' ' A' ' 289' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 277' ' ' MET . . . . . 0.448 ' O ' ' CG ' ' A' ' 278' ' ' GLU . 3.1 mpp? . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 120.45 0.167 . . . . 6.98 111.025 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 278' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 277' ' ' MET . 12.4 pt-20 43.98 64.58 6.84 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 7.99 110.313 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 279' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 280' ' ' ALA . 18.4 Cg_endo -75.01 175.31 11.41 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 4.49 111.017 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 280' ' ' ALA . . . . . 0.6 ' HB3' ' HB2' ' A' ' 283' ' ' ASP . . . -36.26 -34.75 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 5.27 109.322 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 281' ' ' LEU . . . . . 0.65 ' CD2' ' CD1' ' A' ' 468' ' ' PHE . 1.3 mt 75.74 1.76 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 3.25 109.288 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 282' ' ' CYS . . . . . . . . . . . . . 42.3 t -157.14 51.01 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 3.43 108.3 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 283' ' ' ASP . . . . . 0.6 ' HB2' ' HB3' ' A' ' 280' ' ' ALA . 0.7 OUTLIER -146.93 145.25 21.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 4.48 109.276 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 68.68 5.77 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.542 1.812 . . . . 3.07 110.92 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 285' ' ' ASN . . . . . 0.407 ' OD1' ' HB3' ' A' ' 283' ' ' ASP . 0.3 OUTLIER -169.59 40.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 3.52 109.379 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 286' ' ' LEU . . . . . 0.688 HD23 ' H ' ' A' ' 287' ' ' SER . 0.4 OUTLIER -111.81 154.59 24.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 2.8 109.284 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 287' ' ' SER . . . . . 0.688 ' H ' HD23 ' A' ' 286' ' ' LEU . 57.4 p -142.62 176.84 8.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 2.35 109.984 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -144.26 178.27 8.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 2.58 111.024 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.54 -48.87 1.16 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 2.6 109.31 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -147.89 141.08 25.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.94 109.345 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 291' ' ' VAL . . . . . . . . . . . . . 1.3 m -140.6 131.42 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 2.27 109.333 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 14.2 t -143.69 163.13 34.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 1.53 110.385 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 2.6 t -116.42 161.58 18.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 2.24 110.377 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 79.4 t -135.5 77.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.68 109.247 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 74.06 -88.07 0.67 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.548 1.155 . . . . 1.97 111.006 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -115.82 -5.99 12.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 0.787 . . . . 4.42 109.276 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.456 ' HA ' HG23 ' A' ' 310' ' ' VAL . 2.8 mtmm -99.83 161.03 13.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 2.54 109.296 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 298' ' ' ILE . . . . . 0.448 ' C ' ' CD1' ' A' ' 299' ' ' PHE . 1.4 pt -139.37 144.48 28.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 2.35 109.264 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 299' ' ' PHE . . . . . 0.586 ' CE2' HD21 ' A' ' 308' ' ' LEU . 9.8 m-85 -138.77 167.81 21.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 2.57 110.988 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 300' ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' A' ' 300' ' ' PHE . 0.1 OUTLIER -153.11 125.24 7.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 3.31 111.022 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 301' ' ' PHE . . . . . 0.67 ' CD1' HD13 ' A' ' 332' ' ' ILE . 97.7 m-85 -104.68 146.28 29.16 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.531 1.144 . . . . 2.1 110.97 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.15 -53.86 2.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 3.73 109.333 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 303' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 331' ' ' GLY . 12.6 t0 -169.82 -61.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 3.96 109.247 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 304' ' ' ARG . . . . . 0.571 ' HG2' ' CD2' ' A' ' 305' ' ' PHE . 0.0 OUTLIER -118.17 -22.76 7.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.439 1.087 . . . . 4.3 110.242 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 305' ' ' PHE . . . . . 0.571 ' CD2' ' HG2' ' A' ' 304' ' ' ARG . 79.6 m-85 -103.45 155.53 18.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 3.14 110.998 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 306' ' ' PHE . . . . . 0.538 ' CZ ' ' HB2' ' A' ' 319' ' ' ASN . 6.5 p90 -116.01 150.39 37.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 2.41 110.945 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 307' ' ' TRP . . . . . 0.579 ' CH2' HD11 ' A' ' 281' ' ' LEU . 48.5 m95 -114.75 144.82 42.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 5.66 108.008 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.586 HD21 ' CE2' ' A' ' 299' ' ' PHE . 0.2 OUTLIER -132.46 112.67 12.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.419 1.074 . . . . 1.98 109.292 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 309' ' ' LYS . . . . . 0.457 ' CD ' HG22 ' A' ' 316' ' ' THR . 1.4 tptt -148.52 102.41 3.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 2.37 109.244 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 310' ' ' VAL . . . . . 0.649 HG13 ' H ' ' A' ' 312' ' ' GLU . 2.2 p -110.7 177.02 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 2.87 109.347 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 311' ' ' SER . . . . . 0.581 ' H ' HG22 ' A' ' 310' ' ' VAL . 0.3 OUTLIER -84.93 29.55 0.63 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.534 1.146 . . . . 6.95 109.965 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 312' ' ' GLU . . . . . 0.649 ' H ' HG13 ' A' ' 310' ' ' VAL . 11.4 tt0 -149.33 23.36 0.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.094 . . . . 6.38 110.31 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -120.88 134.1 24.25 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.125 . . . . 4.31 110.292 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -24.95 12.34 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.525 1.802 . . . . 2.69 110.935 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -150.65 160.07 44.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 3.16 109.355 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 316' ' ' THR . . . . . 0.561 HG21 ' CD1' ' A' ' 468' ' ' PHE . 73.4 p -95.95 123.13 39.42 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.535 1.147 . . . . 1.87 110.431 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 317' ' ' SER . . . . . 0.448 ' O ' ' CE3' ' A' ' 307' ' ' TRP . 0.6 OUTLIER -87.46 168.02 13.47 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 2.3 110.012 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 318' ' ' VAL . . . . . 0.561 ' HB ' ' CZ3' ' A' ' 307' ' ' TRP . 6.2 p -153.36 121.94 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 2.65 109.303 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 319' ' ' ASN . . . . . 0.538 ' HB2' ' CZ ' ' A' ' 306' ' ' PHE . 0.9 OUTLIER -143.64 175.83 9.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.404 1.065 . . . . 2.62 109.213 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 10.1 tp -81.86 154.78 25.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 2.39 109.296 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 321' ' ' ILE . . . . . . . . . . . . . 37.5 mt -68.17 -70.1 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 1.49 109.258 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 3.7 t -42.93 -32.41 0.63 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.476 1.11 . . . . 2.85 110.003 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 323' ' ' SER . . . . . 0.556 ' HB3' HD12 ' A' ' 324' ' ' LEU . 0.1 OUTLIER -42.35 -36.59 1.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 1.56 109.965 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 324' ' ' LEU . . . . . 0.556 HD12 ' HB3' ' A' ' 323' ' ' SER . 5.2 mp -116.19 -58.98 2.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 2.48 109.318 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 325' ' ' TRP . . . . . 0.407 ' HB3' HD23 ' A' ' 328' ' ' LEU . 1.4 m-90 -58.22 152.03 44.06 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 3.05 108.0 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -56.69 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.494 1.787 . . . . 1.78 110.978 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 327' ' ' THR . . . . . 0.458 ' O ' HG23 ' A' ' 327' ' ' THR . 3.1 t -153.94 104.01 2.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 2.62 110.409 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.567 HD13 ' HD2' ' A' ' 329' ' ' PRO . 0.2 OUTLIER -99.8 167.72 10.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 2.38 109.315 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 329' ' ' PRO . . . . . 0.567 ' HD2' HD13 ' A' ' 328' ' ' LEU . 18.3 Cg_endo -74.99 -16.42 20.24 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.515 1.797 . . . . 4.18 111.024 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 53.0 p 58.68 111.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 3.57 110.001 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 331' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 303' ' ' ASP . . . 104.02 41.56 2.09 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.493 1.12 . . . . 1.46 111.013 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.68 HG21 HD12 ' A' ' 346' ' ' LEU . 3.0 mt -49.25 102.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 0.785 . . . . 2.09 109.382 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -79.73 -35.48 38.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 2.97 110.305 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 334' ' ' ALA . . . . . 0.606 ' HB3' ' HB2' ' A' ' 347' ' ' PHE . . . -142.96 122.26 13.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.93 109.249 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -109.44 115.43 29.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 1.05 109.287 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 336' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -108.63 158.94 17.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 4.0 111.048 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -155.59 142.74 19.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 3.41 110.269 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 338' ' ' ILE . . . . . . . . . . . . . 2.7 tp -140.64 121.36 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 3.46 109.238 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.18 -41.38 49.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 3.67 110.299 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -40.94 -57.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 1.84 109.292 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -85.82 -19.07 31.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 3.45 110.286 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 4.7 t30 62.66 52.54 2.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 2.23 109.291 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 343' ' ' GLN . . . . . 0.515 ' OE1' HD21 ' A' ' 354' ' ' LEU . 33.7 mt-30 -125.35 178.51 5.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 2.5 110.328 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 344' ' ' VAL . . . . . 0.417 HG12 ' CD2' ' A' ' 346' ' ' LEU . 40.6 t -137.51 135.06 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 1.19 109.274 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 345' ' ' PHE . . . . . 0.792 ' C ' HD22 ' A' ' 346' ' ' LEU . 17.0 m-85 -130.34 129.81 43.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 2.61 110.965 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 0.792 HD22 ' C ' ' A' ' 345' ' ' PHE . 2.9 mm? -124.01 103.0 8.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 1.83 109.346 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 347' ' ' PHE . . . . . 0.606 ' HB2' ' HB3' ' A' ' 334' ' ' ALA . 91.5 m-85 -83.62 142.21 30.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 2.62 110.959 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 348' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 351' ' ' LYS . 11.7 tmtt? -164.71 125.85 2.1 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.44 1.087 . . . . 2.94 109.331 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 50.32 -150.5 0.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 3.01 109.346 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 350' ' ' ASP . . . . . 0.435 ' OD1' ' ND1' ' A' ' 369' ' ' HIS . 44.8 t0 -88.26 44.11 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 2.89 109.253 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 348' ' ' LYS . 18.5 mttt -155.25 149.73 26.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 2.05 109.32 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 352' ' ' TYR . . . . . 0.562 ' CD1' ' C ' ' A' ' 352' ' ' TYR . 0.0 OUTLIER -143.79 127.09 16.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 4.86 111.042 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 353' ' ' TRP . . . . . 0.442 ' CH2' HG23 ' A' ' 327' ' ' THR . 21.4 m95 -95.83 146.88 24.2 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.989 -1.115 . . . . 5.63 107.989 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 354' ' ' LEU . . . . . 0.596 HD13 ' C ' ' A' ' 354' ' ' LEU . 1.7 tm? -108.94 113.01 25.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 3.11 109.297 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.694 HD12 ' N ' ' A' ' 355' ' ' ILE . 2.1 mp -93.39 92.75 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 1.79 109.25 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 356' ' ' SER . . . . . 0.43 ' HB2' HD11 ' A' ' 354' ' ' LEU . 1.4 t -96.12 122.29 38.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 1.58 110.022 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 357' ' ' ASN . . . . . 0.665 ' O ' HD23 ' A' ' 358' ' ' LEU . 45.6 m-20 59.48 47.62 10.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 2.68 109.356 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 358' ' ' LEU . . . . . 0.665 HD23 ' O ' ' A' ' 357' ' ' ASN . 0.3 OUTLIER 55.14 37.02 28.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 2.91 109.205 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.82 115.47 3.23 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.14 . . . . 4.42 110.295 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 360' ' ' PRO . . . . . 0.457 ' HA ' ' O ' ' A' ' 354' ' ' LEU . 18.3 Cg_endo -74.93 110.35 3.1 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.444 1.76 . . . . 2.4 110.971 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -39.04 128.29 1.23 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 3.99 110.376 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 362' ' ' PRO . . . . . 0.428 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.3 Cg_endo -75.03 122.5 7.23 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.475 1.776 . . . . 3.15 110.98 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 363' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 4.8 t-20 77.99 54.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.157 . . . . 3.37 109.343 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 364' ' ' TYR . . . . . 0.552 ' CD2' ' HD2' ' A' ' 366' ' ' LYS . 0.8 OUTLIER -136.52 60.09 29.42 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 2.95 110.993 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 365' ' ' PRO . . . . . 0.483 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -75.04 53.31 3.31 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.501 1.79 . . . . 1.93 110.984 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 366' ' ' LYS . . . . . 0.559 ' HB3' ' CD2' ' A' ' 352' ' ' TYR . 0.3 OUTLIER -62.29 169.51 2.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 2.07 109.298 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 367' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 370' ' ' SER . 3.7 m -153.05 144.03 22.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 3.28 110.019 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 368' ' ' ILE . . . . . 0.493 HD13 HD11 ' A' ' 380' ' ' ILE . 1.0 OUTLIER -67.77 -20.02 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 2.29 109.252 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 369' ' ' HIS . . . . . 0.435 ' ND1' ' OD1' ' A' ' 350' ' ' ASP . 0.9 OUTLIER -69.7 -19.15 63.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 3.98 109.661 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 370' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 367' ' ' SER . 0.2 OUTLIER -70.39 -7.06 40.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.404 1.065 . . . . 2.54 110.054 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 371' ' ' PHE . . . . . 0.482 ' O ' ' CD2' ' A' ' 371' ' ' PHE . 36.9 p90 -170.84 57.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 7.07 111.017 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 372' ' ' GLY . . . . . 0.593 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -171.18 -50.64 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.557 1.161 . . . . 3.04 110.933 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 373' ' ' PHE . . . . . 0.593 ' C ' ' O ' ' A' ' 372' ' ' GLY . 22.3 t80 -19.56 92.09 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 5.17 110.951 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 374' ' ' PRO . . . . . 0.468 ' N ' ' O ' ' A' ' 372' ' ' GLY . 18.1 Cg_endo -74.98 -55.47 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 2.49 111.044 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -134.62 -55.84 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.583 1.177 . . . . 4.86 109.3 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -160.44 33.0 0.16 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 7.03 110.977 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 377' ' ' VAL . . . . . 0.437 HG12 ' HD2' ' A' ' 374' ' ' PRO . 0.3 OUTLIER -73.43 141.74 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 2.3 109.218 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.84 29.75 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 2.87 109.343 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -170.91 122.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 3.11 109.308 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 380' ' ' ILE . . . . . 0.493 HD11 HD13 ' A' ' 368' ' ' ILE . 10.0 mt -99.49 144.29 12.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 1.02 109.342 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.58 -47.04 11.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 2.2 109.359 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 382' ' ' ALA . . . . . 0.746 ' HB1' HG12 ' A' ' 432' ' ' VAL . . . -157.76 169.34 24.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.86 109.292 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -153.36 118.02 4.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.69 109.303 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 384' ' ' VAL . . . . . 0.53 HG22 ' H ' ' A' ' 385' ' ' PHE . 9.6 p -134.2 171.28 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 2.08 109.299 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 385' ' ' PHE . . . . . 0.53 ' H ' HG22 ' A' ' 384' ' ' VAL . 22.8 t80 -135.74 148.29 48.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 1.99 110.984 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.5 125.75 29.14 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 2.3 109.283 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 387' ' ' PRO . . . . . 0.485 ' O ' ' CE1' ' A' ' 390' ' ' TYR . 18.1 Cg_endo -75.06 -30.54 6.97 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.568 1.825 . . . . 1.74 111.045 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 388' ' ' ARG . . . . . 0.46 ' O ' ' CE2' ' A' ' 390' ' ' TYR . 12.1 mmm180 -80.34 -41.26 25.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 2.17 110.327 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 389' ' ' PHE . . . . . 0.419 ' O ' ' CG ' ' A' ' 391' ' ' ARG . 0.2 OUTLIER -87.24 -13.38 43.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.173 . . . . 2.73 110.991 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 390' ' ' TYR . . . . . 0.485 ' CE1' ' O ' ' A' ' 387' ' ' PRO . 39.5 m-85 48.9 35.06 6.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 3.05 111.028 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 391' ' ' ARG . . . . . 0.419 ' CG ' ' O ' ' A' ' 389' ' ' PHE . 1.4 mtt85 -135.1 145.16 47.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 4.13 110.323 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 392' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 384' ' ' VAL . 81.1 m -98.82 112.46 24.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.81 110.421 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -79.22 135.36 36.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 2.43 110.988 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.6 109.57 17.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 2.67 110.974 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 395' ' ' PHE . . . . . 0.428 ' HD2' ' HB3' ' A' ' 382' ' ' ALA . 22.7 m-85 -90.85 111.61 23.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.131 . . . . 1.62 111.024 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 52.5 t -135.03 122.56 37.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.357 1.036 . . . . 1.61 109.333 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 55.89 -151.94 0.38 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 3.96 109.238 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -89.08 48.65 1.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 3.35 109.277 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 399' ' ' GLN . . . . . 0.551 ' O ' HD11 ' A' ' 418' ' ' ILE . 32.3 mt-30 -144.98 164.71 30.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 2.62 110.234 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 400' ' ' TYR . . . . . 0.515 ' C ' ' CD1' ' A' ' 400' ' ' TYR . 0.1 OUTLIER -121.95 123.53 41.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 2.97 111.0 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -117.12 163.18 16.66 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.018 -1.104 . . . . 5.21 108.018 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 402' ' ' ARG . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 402' ' ' ARG . 14.4 ttp-105 -154.58 127.73 8.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 5.41 110.295 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -105.68 127.81 53.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 6.29 111.076 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.31 131.55 43.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 2.03 109.31 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.18 -47.15 4.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 2.61 110.291 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -65.0 -37.94 89.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 6.2 110.262 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 407' ' ' ARG . . . . . 0.438 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.5 OUTLIER -87.79 -44.99 10.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 2.61 110.269 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 408' ' ' GLN . . . . . 0.438 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 1.3 tt0 81.89 39.76 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 2.61 110.325 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -145.18 104.97 4.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 2.65 110.978 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.49 126.63 28.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 2.48 111.053 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.03 133.02 40.09 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 3.33 109.31 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 114.26 3.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.541 1.811 . . . . 2.61 111.003 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 53.22 102.01 0.01 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.518 1.136 . . . . 2.2 110.97 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 414' ' ' TYR . . . . . 0.514 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 2.1 t80 -144.38 63.07 10.67 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.528 0.781 . . . . 2.45 110.978 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 415' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -74.96 76.13 3.47 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.557 1.82 . . . . 1.46 110.994 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 416' ' ' LYS . . . . . 0.514 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 27.4 mmtt -94.45 -174.62 3.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.399 1.062 . . . . 2.75 109.316 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.13 135.93 53.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 2.54 109.328 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.551 HD11 ' O ' ' A' ' 399' ' ' GLN . 2.8 mt -65.78 -63.43 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 1.68 109.358 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 419' ' ' THR . . . . . 0.474 ' HB ' ' CA ' ' A' ' 427' ' ' PRO . 5.2 t -47.81 -43.92 28.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 1.53 110.368 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -61.28 -40.08 92.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 1.85 109.342 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -69.99 -61.7 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 2.35 109.276 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 422' ' ' PHE . . . . . 0.489 ' CB ' HD11 ' A' ' 425' ' ' ILE . 19.9 m-85 -81.3 -70.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 4.29 111.037 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 423' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 419' ' ' THR . 0.0 OUTLIER 75.89 96.72 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 2.41 110.295 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 424' ' ' GLY . . . . . 0.629 ' HA3' HD11 ' A' ' 458' ' ' ILE . . . 151.96 -29.47 0.91 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.156 . . . . 1.64 111.011 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 425' ' ' ILE . . . . . 0.6 HD13 ' H ' ' A' ' 425' ' ' ILE . 0.2 OUTLIER -100.31 -24.92 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 2.16 109.281 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 107.94 159.39 20.4 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.53 1.144 . . . . 1.29 110.974 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 427' ' ' PRO . . . . . 0.474 ' CA ' ' HB ' ' A' ' 419' ' ' THR . 18.3 Cg_endo -75.02 -3.98 14.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.567 1.825 . . . . 2.15 111.024 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.3 133.27 54.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.604 1.19 . . . . 2.44 109.326 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 429' ' ' ILE . . . . . 0.442 HD13 ' HD2' ' A' ' 442' ' ' PHE . 7.1 tp -143.87 134.66 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 1.91 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 430' ' ' ASP . . . . . 0.744 ' O ' 'CA ' ' A' ' 471' ' ' ' CA' . 61.1 t0 -103.49 -56.63 2.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.436 1.085 . . . . 3.98 109.279 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -134.73 150.31 50.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.174 . . . . 0.82 109.352 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.746 HG12 ' HB1' ' A' ' 382' ' ' ALA . 9.3 p -156.65 136.71 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 1.89 109.289 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 433' ' ' PHE . . . . . 0.409 ' CE1' ' HB2' ' A' ' 441' ' ' TYR . 7.5 p90 -141.3 135.07 30.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 2.74 111.04 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -88.8 101.84 14.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 3.08 111.037 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 435' ' ' SER . . . . . 0.401 ' HB3' ' CD2' ' A' ' 433' ' ' PHE . 0.9 OUTLIER -151.29 97.61 2.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 3.1 110.008 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 436' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 176.53 -163.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 3.96 109.262 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -83.32 -37.95 22.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 5.65 109.345 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 438' ' ' LYS . . . . . 0.54 ' O ' ' CD1' ' A' ' 439' ' ' TYR . 0.0 OUTLIER -178.54 62.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 3.25 109.273 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 439' ' ' TYR . . . . . 0.54 ' CD1' ' O ' ' A' ' 438' ' ' LYS . 49.7 m-85 -154.3 172.12 18.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 2.61 111.042 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -135.96 140.17 43.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 3.2 110.982 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 441' ' ' TYR . . . . . 0.704 ' O ' HG23 ' A' ' 432' ' ' VAL . 5.9 m-85 -105.09 127.82 53.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 2.33 110.976 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 442' ' ' PHE . . . . . 0.442 ' HD2' HD13 ' A' ' 429' ' ' ILE . 22.5 m-85 -122.4 141.33 51.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 3.37 111.05 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 443' ' ' PHE . . . . . 0.537 ' CD1' ' C ' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -150.49 146.3 26.53 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.495 1.122 . . . . 5.46 111.03 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -159.28 67.45 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 3.91 110.277 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 148.14 -90.37 0.14 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.566 1.166 . . . . 2.17 110.973 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 4.5 p -150.66 36.1 0.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.408 0.71 . . . . 2.37 109.963 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -146.56 142.18 27.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 3.67 109.335 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 448' ' ' GLN . . . . . 0.572 ' HB3' HD21 ' A' ' 462' ' ' LEU . 6.3 mt-30 -123.72 90.22 3.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 3.95 110.294 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -82.98 159.95 22.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 2.43 110.982 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -124.84 129.98 51.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 3.8 110.35 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -105.98 144.01 33.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 3.75 111.054 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -124.66 112.14 16.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 3.18 109.271 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -61.42 -12.91 16.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 3.0 111.017 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 454' ' ' LEU . . . . . 0.451 HD23 ' CD2' ' A' ' 455' ' ' LEU . 16.0 tp -57.0 -32.64 66.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 2.44 109.296 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.463 ' CD1' ' HD3' ' A' ' 457' ' ' ARG . 1.0 OUTLIER -177.03 44.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 2.07 109.311 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 456' ' ' GLN . . . . . 0.419 ' NE2' ' O ' ' A' ' 455' ' ' LEU . 3.3 pm0 38.47 45.74 0.88 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.573 1.171 . . . . 4.76 110.328 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 457' ' ' ARG . . . . . 0.463 ' HD3' ' CD1' ' A' ' 455' ' ' LEU . 0.5 OUTLIER -93.03 167.99 11.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 3.0 110.349 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 458' ' ' ILE . . . . . 0.629 HD11 ' HA3' ' A' ' 424' ' ' GLY . 2.5 mp -143.17 79.83 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 2.17 109.311 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 1.8 t -102.23 43.31 1.08 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 2.74 110.409 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.69 100.74 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 3.32 109.297 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 5.3 p -121.76 112.35 18.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 2.48 110.384 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 462' ' ' LEU . . . . . 0.656 HD12 ' CB ' ' A' ' 466' ' ' SER . 0.8 OUTLIER -140.39 170.39 15.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.449 1.093 . . . . 2.53 109.328 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.0 168.03 10.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 2.55 109.293 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 1.3 t -51.07 -35.18 33.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.81 110.008 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -99.82 65.97 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 3.71 109.313 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 466' ' ' SER . . . . . 0.656 ' CB ' HD12 ' A' ' 462' ' ' LEU . 30.4 t -114.23 -19.83 11.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 2.53 109.986 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 467' ' ' TRP . . . . . 0.424 ' O ' ' N ' ' A' ' 469' ' ' GLY . 0.6 OUTLIER -104.77 -56.15 2.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.603 1.189 . . . . 4.3 107.989 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 468' ' ' PHE . . . . . 0.65 ' CD1' ' CD2' ' A' ' 281' ' ' LEU . 74.9 m-85 -39.34 -29.61 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.132 . . . . 6.34 110.94 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 469' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 467' ' ' TRP . . . 101.8 56.61 0.85 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.537 1.148 . . . . 2.18 110.978 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 N-CA-C 108.364 -0.976 . . . . 3.47 108.364 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 471' ' ' ' CA' . . . . . 0.744 'CA ' ' O ' ' A' ' 430' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 277' ' ' MET . . . . . 0.559 ' HB3' ' CE2' ' A' ' 305' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.513 0.197 . . . . 10.14 111.01 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -136.37 66.83 59.68 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 6.69 110.34 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 279' ' ' PRO . . . . . 0.675 ' O ' ' HB2' ' A' ' 280' ' ' ALA . 18.2 Cg_endo -75.04 -75.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.47 1.774 . . . . 4.37 111.017 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 280' ' ' ALA . . . . . 0.675 ' HB2' ' O ' ' A' ' 279' ' ' PRO . . . 162.87 -33.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.419 1.074 . . . . 4.79 109.33 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 281' ' ' LEU . . . . . 0.459 HD22 ' CD1' ' A' ' 468' ' ' PHE . 1.3 mt 62.04 20.64 11.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 2.44 109.339 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 282' ' ' CYS . . . . . 1.155 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 1.8 t -130.95 17.31 5.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.423 1.077 . . . . 2.87 108.317 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -157.79 152.45 20.83 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 3.59 109.34 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 59.3 5.12 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.433 1.754 . . . . 1.92 110.99 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -121.39 24.43 9.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 3.86 109.344 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 286' ' ' LEU . . . . . 0.532 HD11 ' CZ2' ' A' ' 307' ' ' TRP . 5.7 tp -110.62 150.37 29.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 2.77 109.322 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 3.7 p -145.19 167.91 21.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 1.91 110.017 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -130.33 171.53 12.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.412 1.07 . . . . 2.02 110.994 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -115.97 -53.44 2.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 2.62 109.265 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -150.42 150.55 31.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.162 . . . . 1.02 109.315 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 291' ' ' VAL . . . . . 0.824 HG22 ' HB1' ' A' ' 431' ' ' ALA . 3.9 m -138.03 165.99 24.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 2.01 109.354 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 1.6 t -149.84 167.11 27.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 1.38 110.352 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 293' ' ' THR . . . . . 0.445 ' CG2' ' HB2' ' A' ' 433' ' ' PHE . 82.6 p -120.3 118.19 29.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 3.63 110.446 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 294' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 296' ' ' ASN . 62.0 t -122.61 114.38 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 1.74 109.329 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 54.9 -86.77 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 1.97 110.989 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 296' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 294' ' ' VAL . 3.4 p30 -141.37 25.39 2.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 0.748 . . . . 3.9 109.267 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.497 ' HA ' HG23 ' A' ' 310' ' ' VAL . 16.1 mtmt -125.04 164.92 19.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 2.69 109.301 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 3.3 pt -141.23 130.3 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 2.31 109.307 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 299' ' ' PHE . . . . . 0.429 ' O ' HG12 ' A' ' 291' ' ' VAL . 35.9 m-85 -104.42 142.83 33.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 2.3 111.032 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 300' ' ' PHE . . . . . 0.567 ' HA ' HG12 ' A' ' 291' ' ' VAL . 14.8 m-85 -126.95 98.08 5.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.451 1.095 . . . . 2.69 111.044 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 301' ' ' PHE . . . . . 0.411 ' HA ' ' CB ' ' A' ' 306' ' ' PHE . 15.8 m-85 -86.57 157.41 19.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 2.24 111.042 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -162.26 74.05 0.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 2.99 109.303 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 303' ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' A' ' 304' ' ' ARG . 1.6 m-20 49.65 88.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 3.01 109.303 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 304' ' ' ARG . . . . . 0.47 ' HB2' ' O ' ' A' ' 303' ' ' ASP . 0.2 OUTLIER 69.15 -57.6 0.52 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 4.26 110.285 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 305' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 277' ' ' MET . 2.8 m-85 -78.09 121.66 24.57 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.573 1.171 . . . . 3.01 110.99 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 306' ' ' PHE . . . . . 0.564 ' CD2' ' O ' ' A' ' 319' ' ' ASN . 15.5 p90 -128.98 137.53 51.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 1.81 111.002 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 307' ' ' TRP . . . . . 0.532 ' CZ2' HD11 ' A' ' 286' ' ' LEU . 5.0 m-90 -91.68 146.83 23.46 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.922 -1.14 . . . . 4.3 107.922 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.471 HD13 ' N ' ' A' ' 309' ' ' LYS . 0.7 OUTLIER -123.3 120.57 33.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 1.92 109.324 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 309' ' ' LYS . . . . . 0.471 ' N ' HD13 ' A' ' 308' ' ' LEU . 0.1 OUTLIER -146.32 114.27 6.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 2.47 109.334 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 310' ' ' VAL . . . . . 0.497 HG23 ' HA ' ' A' ' 297' ' ' LYS . 0.5 OUTLIER -136.37 -179.85 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 2.81 109.281 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 311' ' ' SER . . . . . 0.477 ' H ' HG22 ' A' ' 310' ' ' VAL . 0.5 OUTLIER -60.8 138.32 58.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 6.27 110.002 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 69.33 40.55 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 5.84 110.266 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 313' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 315' ' ' LYS . 2.5 tpt180 -128.63 94.9 33.86 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.505 1.128 . . . . 3.8 110.239 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 1.56 7.58 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.528 1.804 . . . . 3.44 111.012 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 315' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 313' ' ' ARG . 13.4 tttt -159.57 160.72 34.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 4.42 109.288 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 316' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 308' ' ' LEU . 21.5 p -115.14 151.75 33.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 1.14 110.38 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 8.7 t -115.13 119.61 36.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 1.93 109.983 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 318' ' ' VAL . . . . . 0.482 HG22 ' CD1' ' A' ' 307' ' ' TRP . 96.2 t -92.13 94.0 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.397 1.061 . . . . 2.26 109.295 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 319' ' ' ASN . . . . . 0.564 ' O ' ' CD2' ' A' ' 306' ' ' PHE . 1.0 OUTLIER -110.29 174.52 5.83 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.522 1.139 . . . . 1.95 109.307 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.17 150.06 23.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 2.19 109.335 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 321' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 324' ' ' LEU . 4.9 mt -65.42 -62.86 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 1.06 109.308 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 8.2 m -46.42 -31.03 2.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 2.17 110.005 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.55 -37.63 88.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 1.71 109.971 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 324' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 321' ' ' ILE . 14.1 tp -97.2 -73.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 3.39 109.313 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 325' ' ' TRP . . . . . 0.667 ' HB3' HD23 ' A' ' 328' ' ' LEU . 0.2 OUTLIER -60.86 151.2 74.38 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 1.89 107.955 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -74.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.419 1.747 . . . . 1.22 110.983 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 327' ' ' THR . . . . . 0.658 ' O ' HG23 ' A' ' 327' ' ' THR . 11.0 t -128.78 91.06 3.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 1.7 110.416 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.676 HD11 HG12 ' A' ' 355' ' ' ILE . 4.4 mm? -126.89 161.64 52.28 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 1.6 109.345 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 329' ' ' PRO . . . . . 0.669 ' O ' HD11 ' A' ' 332' ' ' ILE . 18.4 Cg_endo -74.95 129.52 12.46 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.612 1.848 . . . . 2.09 110.943 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 11.6 m -88.45 136.44 32.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 2.18 109.989 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 85.01 42.92 6.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.477 1.111 . . . . 1.19 110.993 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.669 HD11 ' O ' ' A' ' 329' ' ' PRO . 22.1 mm -48.97 134.44 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 2.24 109.341 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -94.71 -24.85 16.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.44 1.087 . . . . 2.72 110.332 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -167.22 130.43 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.81 109.323 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 335' ' ' ALA . . . . . 0.425 ' HB2' HG21 ' A' ' 332' ' ' ILE . . . -130.23 143.54 50.84 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.523 1.139 . . . . 0.82 109.296 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 336' ' ' TYR . . . . . 0.461 ' CE1' ' CB ' ' A' ' 345' ' ' PHE . 13.1 p90 -153.62 125.39 7.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 3.57 111.034 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 337' ' ' GLU . . . . . 0.669 ' HG3' HG22 ' A' ' 344' ' ' VAL . 0.0 OUTLIER -109.41 167.29 10.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 4.66 110.309 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 338' ' ' ILE . . . . . . . . . . . . . 6.6 tp -150.14 124.61 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 4.29 109.345 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -74.36 -33.08 62.99 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 4.19 110.334 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -53.0 -49.36 66.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 1.59 109.203 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -93.33 -22.65 18.83 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.557 1.161 . . . . 3.57 110.366 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 24.5 t30 60.29 43.58 13.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.168 . . . . 1.91 109.352 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 343' ' ' GLN . . . . . 0.442 ' HG2' ' CD1' ' A' ' 354' ' ' LEU . 2.4 tt0 -131.35 136.96 48.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 2.47 110.289 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 344' ' ' VAL . . . . . 0.669 HG22 ' HG3' ' A' ' 337' ' ' GLU . 43.9 t -94.78 163.11 2.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 1.25 109.322 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 345' ' ' PHE . . . . . 0.538 ' CE2' HD13 ' A' ' 354' ' ' LEU . 82.1 m-85 -151.37 129.94 12.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 2.95 111.024 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 0.467 HD13 ' O ' ' A' ' 345' ' ' PHE . 2.7 mm? -122.61 122.73 39.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 1.91 109.303 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -99.88 144.58 28.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 2.43 110.961 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 348' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.32 123.99 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 3.28 109.311 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 4.2 t0 51.09 -151.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 3.31 109.298 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 350' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -85.93 44.69 1.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 2.91 109.319 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -155.26 150.01 26.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 2.81 109.249 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 352' ' ' TYR . . . . . 0.577 ' CD1' ' C ' ' A' ' 352' ' ' TYR . 1.0 OUTLIER -125.81 154.51 42.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 4.16 110.968 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 353' ' ' TRP . . . . . 0.695 ' NE1' ' CE1' ' A' ' 364' ' ' TYR . 6.2 m-90 -121.96 127.33 50.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 4.85 108.0 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 354' ' ' LEU . . . . . 0.588 ' C ' HD12 ' A' ' 355' ' ' ILE . 1.9 tp -114.94 111.94 21.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 2.05 109.236 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.676 HG12 HD11 ' A' ' 328' ' ' LEU . 1.3 mp -107.6 156.4 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 2.37 109.315 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 27.1 t -150.3 125.46 10.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 2.16 109.977 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 61.25 37.47 17.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 2.86 109.287 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 358' ' ' LEU . . . . . 0.467 ' O ' HD12 ' A' ' 358' ' ' LEU . 0.2 OUTLIER 63.46 33.86 13.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 3.64 109.293 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.72 135.13 17.59 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 4.09 110.279 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 360' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 140.6 25.86 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.449 1.763 . . . . 2.24 110.998 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.62 146.87 47.81 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 2.91 110.253 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 3.48 5.6 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.463 1.77 . . . . 3.22 110.976 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 363' ' ' ASN . . . . . 0.447 ' C ' ' HD2' ' A' ' 365' ' ' PRO . 0.8 OUTLIER -126.61 25.27 6.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.088 . . . . 9.85 109.304 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 364' ' ' TYR . . . . . 0.787 ' N ' ' CD ' ' A' ' 365' ' ' PRO . 0.1 OUTLIER -76.58 -31.94 0.99 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 11.98 111.013 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 365' ' ' PRO . . . . . 0.787 ' CD ' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -75.08 78.79 2.84 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.424 1.749 . . . . 2.85 110.957 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 366' ' ' LYS . . . . . 0.575 ' HB2' ' CE2' ' A' ' 352' ' ' TYR . 9.0 mttm -129.84 166.3 20.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 3.32 109.304 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 367' ' ' SER . . . . . 0.621 ' HB3' ' CD2' ' A' ' 369' ' ' HIS . 19.4 m -106.1 117.92 35.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 2.27 109.977 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 2.4 pt -57.66 -29.93 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 1.76 109.293 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 369' ' ' HIS . . . . . 0.621 ' CD2' ' HB3' ' A' ' 367' ' ' SER . 0.4 OUTLIER -52.12 -22.06 3.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 3.05 109.552 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 5.8 t -67.0 -9.82 43.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 2.67 110.023 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 371' ' ' PHE . . . . . 0.541 ' CD1' ' C ' ' A' ' 371' ' ' PHE . 0.1 OUTLIER -92.89 20.27 6.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 8.66 110.97 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . 119.81 -53.36 0.68 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.436 1.085 . . . . 4.06 111.006 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 373' ' ' PHE . . . . . 0.521 ' CG ' ' HB2' ' A' ' 369' ' ' HIS . 32.5 t80 59.14 82.14 0.24 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 0.75 . . . . 4.98 110.991 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 374' ' ' PRO . . . . . 0.629 ' HD2' HG21 ' A' ' 377' ' ' VAL . 18.1 Cg_endo -75.09 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.498 1.788 . . . . 2.44 110.977 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -107.68 64.6 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 5.08 109.32 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 172.85 38.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.146 . . . . 8.4 110.936 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 377' ' ' VAL . . . . . 0.629 HG21 ' HD2' ' A' ' 374' ' ' PRO . 64.1 t -127.75 147.46 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 2.53 109.285 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 2.4 mtmm 174.26 -36.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 4.03 109.24 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 10.4 pttt -158.36 135.62 10.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.441 1.088 . . . . 1.93 109.323 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 380' ' ' ILE . . . . . 0.518 HG22 ' N ' ' A' ' 381' ' ' ASP . 21.5 mt -100.13 167.49 2.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.89 109.317 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 381' ' ' ASP . . . . . 0.868 ' O ' 'CA ' ' A' ' 471' ' ' ' CA' . 1.1 t0 -108.53 -47.69 3.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.588 1.18 . . . . 2.49 109.273 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 382' ' ' ALA . . . . . 0.687 ' HB3' ' HD2' ' A' ' 395' ' ' PHE . . . -158.38 167.94 28.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.66 109.278 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -137.67 117.33 13.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.128 . . . . 0.91 109.325 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 384' ' ' VAL . . . . . 0.58 HG11 ' CG1' ' A' ' 432' ' ' VAL . 35.1 m -123.0 130.39 74.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.148 . . . . 3.52 109.282 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -110.54 135.59 50.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 1.78 111.007 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.57 123.62 31.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.179 . . . . 2.18 109.278 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -17.78 19.28 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.512 1.796 . . . . 1.88 110.961 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -73.83 -31.65 63.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 2.49 110.345 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -114.0 -4.21 13.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 2.95 110.941 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 53.32 19.13 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 3.73 111.042 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.03 159.08 21.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 4.14 110.285 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 43.8 m -117.96 122.79 44.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.072 . . . . 0.76 110.403 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 393' ' ' TYR . . . . . 0.435 ' HB2' ' CG2' ' A' ' 384' ' ' VAL . 10.8 m-30 -87.93 134.5 33.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.385 1.053 . . . . 2.16 111.019 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -118.42 135.02 54.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 2.18 111.022 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 395' ' ' PHE . . . . . 0.687 ' HD2' ' HB3' ' A' ' 382' ' ' ALA . 17.0 m-85 -106.14 116.19 31.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 1.19 110.999 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 396' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 398' ' ' ASN . 45.0 t -106.42 82.09 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 1.7 109.323 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 69.23 -65.32 0.3 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.549 1.155 . . . . 3.99 109.29 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 398' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 396' ' ' VAL . 46.9 p-10 -152.87 55.82 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 3.38 109.261 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -144.86 155.62 43.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 2.49 110.311 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -123.15 95.89 4.78 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.572 1.17 . . . . 2.5 111.058 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -97.36 164.89 12.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 5.24 108.002 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -149.63 117.45 6.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 2.85 110.352 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 403' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 404' ' ' ASP . 10.1 t80 -109.32 136.07 49.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 5.07 110.972 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 404' ' ' ASP . . . . . 0.596 ' O ' ' CE1' ' A' ' 403' ' ' TYR . 0.4 OUTLIER -81.81 129.13 34.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 1.81 109.267 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -98.21 -41.79 7.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 3.76 110.355 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? -71.31 -27.71 63.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 6.13 110.26 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 407' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.5 OUTLIER -98.98 -43.94 6.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 2.84 110.269 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 408' ' ' GLN . . . . . 0.471 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 2.2 tt0 83.75 31.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 3.06 110.289 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 7.2 tpt -135.66 96.62 3.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.167 . . . . 2.06 110.972 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 410' ' ' MET . . . . . 0.415 ' HB3' ' CD2' ' A' ' 403' ' ' TYR . 0.0 OUTLIER -56.67 135.36 55.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 2.1 110.986 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.87 139.33 17.06 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 2.43 109.33 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 108.67 2.77 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.573 1.828 . . . . 2.36 110.982 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 51.16 102.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 1.9 110.974 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 414' ' ' TYR . . . . . 0.576 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 2.5 t80 -135.61 63.16 52.47 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.476 0.75 . . . . 1.82 110.995 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 415' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.4 Cg_endo -75.0 71.34 5.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.555 1.819 . . . . 1.47 111.015 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 416' ' ' LYS . . . . . 0.576 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 17.2 mmtt -96.35 -174.17 2.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.15 . . . . 2.36 109.343 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.8 tp -132.92 145.22 50.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 2.33 109.327 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.475 HG12 ' CD1' ' A' ' 395' ' ' PHE . 1.1 mp -68.62 -69.57 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.453 1.096 . . . . 1.24 109.262 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 419' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 418' ' ' ILE . 6.6 t -38.92 -31.15 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.99 110.371 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 420' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 418' ' ' ILE . 45.1 mttt -69.42 -68.73 0.39 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 1.63 109.266 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.66 -50.48 54.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 2.94 109.342 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 422' ' ' PHE . . . . . 0.528 ' HB3' ' CE2' ' A' ' 451' ' ' TYR . 67.0 m-85 -121.57 103.1 8.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 2.47 111.05 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -89.57 73.81 7.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 2.37 110.277 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 424' ' ' GLY . . . . . 0.901 ' CA ' HD11 ' A' ' 458' ' ' ILE . . . -173.11 32.64 0.11 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.481 1.113 . . . . 2.64 111.019 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 425' ' ' ILE . . . . . 0.631 HD13 ' H ' ' A' ' 426' ' ' GLY . 0.2 OUTLIER -151.27 -44.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.46 0.741 . . . . 2.22 109.315 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 426' ' ' GLY . . . . . 0.631 ' H ' HD13 ' A' ' 425' ' ' ILE . . . 120.25 166.78 13.28 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.77 111.026 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -11.63 21.41 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.542 1.811 . . . . 1.11 111.026 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.54 136.69 54.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 3.38 109.257 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 429' ' ' ILE . . . . . 0.441 HG21 ' CD2' ' A' ' 395' ' ' PHE . 7.0 tp -131.02 161.08 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 1.72 109.289 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 430' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 443' ' ' PHE . 1.0 OUTLIER -115.37 -63.84 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 2.95 109.25 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.824 ' HB1' HG22 ' A' ' 291' ' ' VAL . . . -142.57 142.95 32.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.8 109.349 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.743 HG13 ' O ' ' A' ' 441' ' ' TYR . 11.7 t -141.92 139.28 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 2.61 109.242 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 433' ' ' PHE . . . . . 0.45 ' CE2' ' CE1' ' A' ' 443' ' ' PHE . 8.0 p90 -143.55 147.89 35.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 2.51 111.024 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -98.58 88.18 4.02 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.434 1.084 . . . . 3.56 110.995 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 10.2 p -133.04 96.31 3.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.404 1.065 . . . . 2.75 110.027 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 436' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt 174.24 -161.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 4.05 109.238 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -93.42 -36.88 12.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 3.87 109.364 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -174.82 57.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 3.05 109.32 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -144.84 161.61 38.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 2.1 110.997 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -122.69 124.03 42.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 4.56 110.99 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 441' ' ' TYR . . . . . 0.743 ' O ' HG13 ' A' ' 432' ' ' VAL . 4.6 m-85 -98.22 133.52 42.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 2.37 111.043 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 442' ' ' PHE . . . . . 0.528 ' CE2' HG21 ' A' ' 425' ' ' ILE . 82.4 m-85 -124.75 132.73 53.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 3.16 111.067 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 443' ' ' PHE . . . . . 0.45 ' CE1' ' CE2' ' A' ' 433' ' ' PHE . 9.6 m-85 -116.39 114.44 24.29 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.132 . . . . 4.78 110.991 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 444' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 425' ' ' ILE . 1.2 mt-30 -117.46 79.71 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 4.64 110.32 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 96.35 -101.86 2.7 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.459 1.1 . . . . 2.73 110.963 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 79.1 p -107.09 -48.36 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.746 . . . . 3.18 110.004 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -80.15 146.73 31.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 2.15 109.295 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 448' ' ' GLN . . . . . 0.559 ' HG3' HD23 ' A' ' 462' ' ' LEU . 0.7 OUTLIER -132.6 127.61 35.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 3.59 110.301 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 449' ' ' PHE . . . . . 0.573 ' HD2' HG21 ' A' ' 458' ' ' ILE . 6.1 m-85 -99.48 162.37 13.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 2.55 111.027 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 0.564 ' HG3' ' CE1' ' A' ' 441' ' ' TYR . 1.4 tt0 -124.79 141.77 51.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 2.96 110.269 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 451' ' ' TYR . . . . . 0.528 ' CE2' ' HB3' ' A' ' 422' ' ' PHE . 0.9 OUTLIER -106.65 137.35 44.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 2.72 110.977 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -116.25 90.43 3.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 3.74 109.294 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -48.86 -24.44 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 3.93 111.048 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 10.4 tp -42.28 -37.04 1.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 2.24 109.321 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -166.29 32.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.534 1.146 . . . . 1.99 109.333 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 41.0 69.22 0.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 3.04 110.271 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.4 154.1 50.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 3.51 110.334 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 458' ' ' ILE . . . . . 0.901 HD11 ' CA ' ' A' ' 424' ' ' GLY . 13.8 mt -117.41 102.38 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 1.61 109.276 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 3.2 t -126.24 39.11 4.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 3.13 110.448 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.51 102.89 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 3.2 109.341 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 14.6 p -133.95 119.82 19.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.092 . . . . 2.14 110.41 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 462' ' ' LEU . . . . . 0.559 HD23 ' HG3' ' A' ' 448' ' ' GLN . 0.5 OUTLIER -143.37 178.8 7.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 2.05 109.296 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.86 164.15 12.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.495 1.122 . . . . 2.54 109.275 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 1.5 t -51.69 -47.26 63.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 2.44 110.003 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -92.1 59.98 3.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 2.59 109.297 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 466' ' ' SER . . . . . 0.483 ' HB3' HD12 ' A' ' 462' ' ' LEU . 22.4 t -109.99 -12.46 14.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 2.32 110.025 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -107.28 -36.19 6.6 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.958 -1.127 . . . . 3.95 107.958 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 468' ' ' PHE . . . . . 0.459 ' CD1' HD22 ' A' ' 281' ' ' LEU . 64.6 t80 -47.75 -41.79 23.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 7.22 110.923 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 121.18 43.18 0.44 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 2.58 111.014 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 470' ' ' CYS . . . . . 1.155 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 108.288 -1.004 . . . . 3.53 108.288 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 471' ' ' ' CA' . . . . . 0.868 'CA ' ' O ' ' A' ' 381' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 277' ' ' MET . . . . . . . . . . . . . 32.4 mtm . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 120.525 0.202 . . . . 9.55 111.046 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 278' ' ' GLU . . . . . 0.521 ' HG2' HG11 ' A' ' 318' ' ' VAL . 0.5 OUTLIER -93.37 157.39 38.76 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 8.83 110.291 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 159.72 41.03 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.558 1.82 . . . . 3.28 111.013 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 280' ' ' ALA . . . . . 0.563 ' HB3' ' HB2' ' A' ' 283' ' ' ASP . . . -49.74 128.92 19.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 3.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 281' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.5 24.15 4.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 3.05 109.257 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 282' ' ' CYS . . . . . 1.073 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 1.3 t -156.89 38.86 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 3.18 108.32 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 283' ' ' ASP . . . . . 0.563 ' HB2' ' HB3' ' A' ' 280' ' ' ALA . 15.1 m-20 -144.77 138.68 14.63 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 3.94 109.24 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 80.63 2.39 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.422 1.749 . . . . 2.43 110.983 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -174.43 49.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 3.06 109.299 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.53 157.49 18.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.598 1.186 . . . . 3.46 109.32 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 37.5 p -143.8 166.33 25.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 1.68 109.982 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -131.58 172.11 12.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 2.49 111.021 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.36 -52.45 2.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 2.26 109.281 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -143.79 151.13 39.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.81 109.288 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 291' ' ' VAL . . . . . . . . . . . . . 9.0 t -140.75 140.44 33.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 2.03 109.323 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 292' ' ' THR . . . . . 0.513 ' HB ' ' HB1' ' A' ' 335' ' ' ALA . 1.8 t -144.48 168.09 20.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 1.43 110.41 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 293' ' ' THR . . . . . 0.457 ' O ' ' CG ' ' A' ' 337' ' ' GLU . 51.8 m -123.19 148.39 45.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 2.67 110.383 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 294' ' ' VAL . . . . . 0.497 ' O ' HG13 ' A' ' 294' ' ' VAL . 9.8 p -137.95 67.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 2.68 109.319 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 94.4 -86.81 1.07 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.435 1.084 . . . . 2.03 110.967 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -134.35 12.66 3.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 0.747 . . . . 3.39 109.375 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.463 ' HB2' HG13 ' A' ' 294' ' ' VAL . 9.5 mtmt -109.25 164.89 12.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 2.49 109.351 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 298' ' ' ILE . . . . . 0.983 HD13 ' CZ ' ' A' ' 300' ' ' PHE . 2.4 pp -135.6 150.43 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 3.26 109.217 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 299' ' ' PHE . . . . . 0.657 ' CE2' HD23 ' A' ' 308' ' ' LEU . 24.2 m-85 -140.7 119.03 12.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 3.02 111.042 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 300' ' ' PHE . . . . . 0.983 ' CZ ' HD13 ' A' ' 298' ' ' ILE . 8.6 m-85 -106.5 108.71 20.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 2.39 111.001 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -86.91 144.96 26.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 2.76 111.021 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.15 -58.92 1.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 3.09 109.315 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -166.33 -60.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 2.94 109.271 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.44 -15.28 10.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 5.0 110.262 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -122.77 165.36 16.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 2.64 110.986 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 306' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -134.78 154.87 51.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 1.63 110.961 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 307' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -102.64 160.97 14.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 4.67 108.034 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.657 HD23 ' CE2' ' A' ' 299' ' ' PHE . 2.2 tm? -146.64 74.06 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 1.79 109.28 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 309' ' ' LYS . . . . . 0.691 ' O ' HD11 ' A' ' 298' ' ' ILE . 13.4 tptp -103.36 92.12 4.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 2.87 109.343 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 310' ' ' VAL . . . . . 0.507 ' O ' ' CD ' ' A' ' 313' ' ' ARG . 0.6 OUTLIER -175.65 -179.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 2.64 109.293 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 311' ' ' SER . . . . . 0.489 ' H ' HG22 ' A' ' 310' ' ' VAL . 14.2 t 40.28 90.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.579 1.174 . . . . 4.72 110.032 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 312' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 311' ' ' SER . 0.4 OUTLIER 37.36 70.79 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 4.18 110.283 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 313' ' ' ARG . . . . . 0.507 ' CD ' ' O ' ' A' ' 310' ' ' VAL . 0.1 OUTLIER -115.15 106.3 51.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 3.75 110.307 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -10.61 21.23 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.529 1.805 . . . . 1.87 110.98 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -166.23 160.08 15.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 4.01 109.289 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 24.8 p -77.19 163.94 26.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 1.1 110.382 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 26.5 p -120.86 164.82 16.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 3.55 109.997 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 318' ' ' VAL . . . . . 0.521 HG11 ' HG2' ' A' ' 278' ' ' GLU . 95.2 t -148.98 90.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 1.98 109.268 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -124.36 173.16 8.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 2.31 109.307 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 1.5 tt -90.2 153.21 20.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.148 . . . . 1.78 109.287 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 321' ' ' ILE . . . . . . . . . . . . . 2.2 mp -61.07 -67.44 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 1.3 109.377 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.76 -33.33 1.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.165 . . . . 2.78 109.989 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 3.3 t -44.08 -43.68 7.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 1.43 109.991 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 2.2 mp -103.07 -79.05 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 1.9 109.348 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 325' ' ' TRP . . . . . 0.804 ' HB3' HD23 ' A' ' 328' ' ' LEU . 0.4 OUTLIER -49.05 154.01 1.43 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 1.73 108.017 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -80.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.469 1.773 . . . . 1.11 111.006 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 327' ' ' THR . . . . . 0.656 ' C ' HD22 ' A' ' 328' ' ' LEU . 5.0 t -123.7 97.73 5.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 1.45 110.436 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.804 HD23 ' HB3' ' A' ' 325' ' ' TRP . 4.0 mm? -132.82 152.69 80.31 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 1.99 109.342 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 329' ' ' PRO . . . . . 0.543 ' HG3' ' CE3' ' A' ' 353' ' ' TRP . 18.3 Cg_endo -75.0 132.22 15.17 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.513 1.796 . . . . 2.06 111.035 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 7.3 p -97.08 150.06 21.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 2.26 109.964 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 88.92 22.02 40.41 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.55 1.156 . . . . 1.39 111.014 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.573 HG21 HD12 ' A' ' 346' ' ' LEU . 1.9 mt -42.31 151.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 1.46 109.318 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.37 -36.45 3.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 3.88 110.335 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -132.6 110.32 10.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.96 109.354 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 335' ' ' ALA . . . . . 0.513 ' HB1' ' HB ' ' A' ' 292' ' ' THR . . . -105.57 120.02 40.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.421 1.076 . . . . 1.02 109.356 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 336' ' ' TYR . . . . . 0.428 ' CG ' ' N ' ' A' ' 337' ' ' GLU . 41.2 t80 -116.32 162.57 17.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.466 1.103 . . . . 3.93 111.065 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 337' ' ' GLU . . . . . 0.457 ' CG ' ' O ' ' A' ' 293' ' ' THR . 36.4 tp10 -133.09 130.02 38.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 3.84 110.318 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 338' ' ' ILE . . . . . 0.684 ' O ' HG23 ' A' ' 338' ' ' ILE . 9.1 tt -97.03 84.52 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.606 1.191 . . . . 4.4 109.341 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.53 68.91 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 3.44 110.345 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -157.57 -52.75 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 1.96 109.251 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.63 8.42 44.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 4.97 110.303 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 61.0 t30 55.38 68.78 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 2.11 109.328 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 343' ' ' GLN . . . . . 0.471 ' HB2' ' CG2' ' A' ' 338' ' ' ILE . 77.5 mt-30 -145.08 178.96 7.67 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.458 1.099 . . . . 2.66 110.29 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 344' ' ' VAL . . . . . . . . . . . . . 67.0 t -127.08 146.03 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 1.38 109.262 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 345' ' ' PHE . . . . . 0.407 ' O ' HD22 ' A' ' 346' ' ' LEU . 0.9 OUTLIER -126.77 129.28 48.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 2.63 110.999 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 0.573 HD12 HG21 ' A' ' 332' ' ' ILE . 2.3 mm? -130.64 139.47 50.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.615 1.197 . . . . 1.91 109.287 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -117.53 149.02 41.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 2.62 111.025 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 348' ' ' LYS . . . . . 0.507 ' O ' ' C ' ' A' ' 349' ' ' ASP . 9.4 ttpt -124.46 59.62 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 5.37 109.282 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 349' ' ' ASP . . . . . 0.507 ' C ' ' O ' ' A' ' 348' ' ' LYS . 20.8 m-20 32.0 49.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 6.8 109.254 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 350' ' ' ASP . . . . . 0.929 ' O ' HG23 ' A' ' 368' ' ' ILE . 0.5 OUTLIER 162.4 -72.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.535 1.147 . . . . 3.82 109.309 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 366' ' ' LYS . 16.3 mttt -104.53 159.14 15.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 2.8 109.296 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 352' ' ' TYR . . . . . 0.534 ' CD1' ' N ' ' A' ' 352' ' ' TYR . 2.1 p90 -146.36 128.02 15.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 2.87 110.943 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 353' ' ' TRP . . . . . 0.543 ' CE3' ' HG3' ' A' ' 329' ' ' PRO . 3.1 m-90 -90.3 177.8 6.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 3.57 108.031 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 354' ' ' LEU . . . . . 0.753 ' O ' HD23 ' A' ' 354' ' ' LEU . 0.4 OUTLIER -145.5 114.83 7.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 2.55 109.26 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.409 HD12 ' N ' ' A' ' 355' ' ' ILE . 5.2 mp -87.85 101.78 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 1.64 109.288 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.97 118.67 36.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 1.64 110.02 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 60.69 37.07 19.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 2.91 109.265 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 4.3 mt 68.92 35.61 2.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 4.24 109.282 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.3 116.62 2.97 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 4.59 110.345 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 360' ' ' PRO . . . . . 0.467 ' HG3' HD21 ' A' ' 328' ' ' LEU . 18.2 Cg_endo -74.95 123.72 8.12 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.576 1.829 . . . . 1.27 110.969 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -52.04 129.3 39.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 3.28 110.309 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 143.55 29.25 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.414 1.744 . . . . 2.53 110.988 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 363' ' ' ASN . . . . . . . . . . . . . 5.3 m120 60.04 61.49 1.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 4.37 109.294 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 364' ' ' TYR . . . . . 0.524 ' CG ' ' HE3' ' A' ' 366' ' ' LYS . 0.2 OUTLIER -132.9 60.58 50.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 3.65 110.934 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 365' ' ' PRO . . . . . 0.459 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -74.95 43.98 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 1.8 110.976 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 366' ' ' LYS . . . . . 0.524 ' HE3' ' CG ' ' A' ' 364' ' ' TYR . 0.1 OUTLIER -44.8 141.1 2.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 2.71 109.295 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -127.5 126.1 41.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 2.1 109.97 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 368' ' ' ILE . . . . . 0.929 HG23 ' O ' ' A' ' 350' ' ' ASP . 12.4 pt -64.62 -35.37 74.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.405 1.065 . . . . 1.79 109.32 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -33.28 75.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 2.99 109.563 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.98 -8.65 39.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 2.61 109.994 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -89.04 7.61 33.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 5.29 110.95 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . 124.55 -30.77 4.6 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.47 1.106 . . . . 3.76 110.962 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 373' ' ' PHE . . . . . . . . . . . . . 69.6 t80 55.23 94.24 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.445 0.733 . . . . 5.22 110.984 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 374' ' ' PRO . . . . . 0.561 ' HB3' ' CZ2' ' A' ' 401' ' ' TRP . 18.4 Cg_endo -75.09 -161.0 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 3.02 111.006 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 375' ' ' ASN . . . . . 0.466 ' O ' ' C ' ' A' ' 376' ' ' PHE . 83.4 m-20 -53.02 89.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 6.83 109.26 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 376' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 374' ' ' PRO . 76.1 m-85 32.68 74.97 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 4.8 110.96 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 377' ' ' VAL . . . . . 0.775 HG22 HG11 ' A' ' 396' ' ' VAL . 95.4 t -118.76 81.85 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 3.21 109.326 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 378' ' ' LYS . . . . . 0.584 ' HA ' HD11 ' A' ' 368' ' ' ILE . 0.0 OUTLIER -108.16 -19.61 13.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 4.76 109.276 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -127.3 122.54 34.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 2.54 109.289 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 60.7 mt -100.94 157.49 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.445 1.09 . . . . 1.24 109.316 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -93.78 -49.56 5.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 2.27 109.343 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 382' ' ' ALA . . . . . 0.739 ' HB2' ' HA ' ' A' ' 431' ' ' ALA . . . -158.43 164.48 36.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.79 109.31 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 383' ' ' ALA . . . . . 0.482 ' HB1' ' CE1' ' A' ' 394' ' ' PHE . . . -154.42 123.76 6.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.579 1.175 . . . . 0.63 109.32 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 384' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 385' ' ' PHE . 2.3 t -148.83 158.65 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 2.52 109.349 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 385' ' ' PHE . . . . . 0.422 ' N ' ' CG1' ' A' ' 384' ' ' VAL . 69.1 t80 -87.98 155.08 20.01 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 2.79 110.956 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -119.3 102.87 47.91 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 2.86 109.298 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 387' ' ' PRO . . . . . 0.413 ' C ' ' HG2' ' A' ' 388' ' ' ARG . 18.1 Cg_endo -75.02 49.6 2.3 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.506 1.793 . . . . 3.96 110.932 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 388' ' ' ARG . . . . . 0.413 ' HG2' ' C ' ' A' ' 387' ' ' PRO . 2.4 mmm180 -155.78 -39.52 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 3.46 110.3 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -103.32 -1.39 28.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 3.02 110.978 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 52.79 34.97 17.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 3.46 110.973 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -140.43 159.85 41.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 3.61 110.267 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 93.5 m -97.27 116.23 29.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.73 110.37 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -84.02 101.06 11.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 2.73 111.081 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 394' ' ' PHE . . . . . 0.482 ' CE1' ' HB1' ' A' ' 383' ' ' ALA . 37.1 m-85 -97.13 131.55 43.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 2.46 110.974 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -102.83 115.98 31.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 1.16 110.999 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 396' ' ' VAL . . . . . 0.775 HG11 HG22 ' A' ' 377' ' ' VAL . 11.4 t -109.98 92.92 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 2.01 109.231 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 59.0 -88.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 3.66 109.265 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 398' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 396' ' ' VAL . 48.4 t-20 -135.59 49.94 2.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 4.09 109.345 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -149.76 161.0 43.1 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.488 1.117 . . . . 3.0 110.308 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 400' ' ' TYR . . . . . 0.569 ' CE2' ' HA ' ' A' ' 418' ' ' ILE . 0.1 OUTLIER -120.32 110.55 16.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 4.48 111.009 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 401' ' ' TRP . . . . . 0.561 ' CZ2' ' HB3' ' A' ' 374' ' ' PRO . 3.9 m95 -113.75 94.67 4.95 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.982 -1.118 . . . . 5.66 107.982 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.57 121.77 28.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 3.16 110.303 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -99.85 158.3 15.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 6.38 110.95 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -99.8 122.72 43.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 2.56 109.306 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.11 -54.31 4.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 3.39 110.28 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -32.63 74.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 5.2 110.328 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.27 -43.77 11.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 2.99 110.285 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 75.97 42.8 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 2.95 110.284 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -145.64 107.42 4.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 2.03 111.016 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.26 127.92 34.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 2.08 111.077 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.74 137.4 24.85 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 2.9 109.298 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 114.96 4.15 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.452 1.764 . . . . 2.49 110.964 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 44.34 95.31 0.01 OUTLIER Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.534 1.146 . . . . 2.23 110.952 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 414' ' ' TYR . . . . . 0.444 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 1.7 t80 -134.02 63.16 61.09 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.556 0.797 . . . . 2.55 110.953 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 415' ' ' PRO . . . . . 0.416 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -75.0 76.41 3.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 1.75 111.037 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 416' ' ' LYS . . . . . 0.444 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 23.3 mmtt -89.13 -170.78 3.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 2.56 109.256 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 417' ' ' LEU . . . . . 0.482 HD22 ' HD2' ' A' ' 420' ' ' LYS . 0.0 OUTLIER -135.44 139.64 44.27 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.508 1.13 . . . . 2.47 109.244 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.569 ' HA ' ' CE2' ' A' ' 400' ' ' TYR . 7.4 mt -70.32 -66.13 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 1.31 109.323 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 419' ' ' THR . . . . . 0.424 HG22 HD23 ' A' ' 417' ' ' LEU . 5.5 t -44.67 -47.56 10.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 1.5 110.343 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 420' ' ' LYS . . . . . 0.482 ' HD2' HD22 ' A' ' 417' ' ' LEU . 37.4 mttt -58.35 -74.7 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.097 . . . . 2.01 109.35 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -40.22 -40.54 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 3.47 109.27 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 422' ' ' PHE . . . . . 0.566 ' CE2' ' HG2' ' A' ' 456' ' ' GLN . 24.5 m-85 -142.73 118.55 10.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 3.6 111.008 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -98.68 115.09 27.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 2.47 110.326 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 157.68 -35.76 0.54 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.533 1.146 . . . . 1.52 111.014 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 425' ' ' ILE . . . . . 0.525 HD13 ' H ' ' A' ' 425' ' ' ILE . 0.0 OUTLIER -86.81 -36.95 10.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.569 0.805 . . . . 2.47 109.261 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 111.65 174.2 19.73 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.532 1.145 . . . . 1.22 110.978 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -20.3 17.07 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.481 1.779 . . . . 1.26 111.048 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -122.47 142.18 50.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 2.72 109.289 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 429' ' ' ILE . . . . . 0.56 HG12 ' CD1' ' A' ' 442' ' ' PHE . 2.6 tp -138.05 130.84 40.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.443 1.089 . . . . 1.81 109.322 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 430' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 443' ' ' PHE . 4.1 t0 -71.82 -68.18 0.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 2.24 109.25 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.739 ' HA ' ' HB2' ' A' ' 382' ' ' ALA . . . -158.48 174.51 14.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 1.02 109.256 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.57 ' HB ' ' CD1' ' A' ' 442' ' ' PHE . 0.7 OUTLIER -159.8 164.2 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 2.45 109.344 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 433' ' ' PHE . . . . . 0.496 ' N ' ' CG2' ' A' ' 432' ' ' VAL . 4.7 p90 -152.69 145.74 24.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 2.76 111.006 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 434' ' ' TYR . . . . . 0.427 ' O ' ' CG ' ' A' ' 434' ' ' TYR . 22.2 t80 -109.35 80.2 1.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 3.23 110.988 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 22.6 t -112.27 -19.06 12.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 2.89 110.061 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 436' ' ' LYS . . . . . 0.583 ' HG2' ' CE1' ' A' ' 441' ' ' TYR . 0.1 OUTLIER -65.13 -168.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 5.52 109.313 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -85.46 -46.54 10.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 3.46 109.308 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 438' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 438' ' ' LYS . 3.8 tppp? -163.74 61.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 3.95 109.279 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -146.27 176.38 9.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 2.32 111.034 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -134.14 103.05 5.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 3.7 110.995 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 441' ' ' TYR . . . . . 0.583 ' CE1' ' HG2' ' A' ' 436' ' ' LYS . 4.3 m-85 -93.21 117.72 30.4 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.112 . . . . 2.76 110.979 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 442' ' ' PHE . . . . . 0.57 ' CD1' ' HB ' ' A' ' 432' ' ' VAL . 50.2 m-85 -110.16 142.89 41.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 3.17 110.973 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 443' ' ' PHE . . . . . 0.538 ' CZ ' ' HG3' ' A' ' 448' ' ' GLN . 17.6 m-85 -111.88 108.72 18.2 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.461 1.101 . . . . 4.32 110.969 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -110.19 80.24 1.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 3.17 110.316 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 84.72 -116.09 4.22 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.562 1.164 . . . . 2.05 110.993 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 17.7 p -109.72 43.83 1.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 0.791 . . . . 1.94 110.048 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -150.03 138.75 20.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 2.78 109.325 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 448' ' ' GLN . . . . . 0.725 ' NE2' HD21 ' A' ' 462' ' ' LEU . 0.1 OUTLIER -124.39 94.76 4.3 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.48 1.112 . . . . 3.88 110.263 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 449' ' ' PHE . . . . . 0.556 ' HB2' ' CE1' ' A' ' 451' ' ' TYR . 73.5 m-85 -80.69 143.45 33.01 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.508 1.13 . . . . 2.93 111.044 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 0.532 ' HG2' ' CZ ' ' A' ' 441' ' ' TYR . 1.2 mt-10 -100.68 106.03 17.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 5.79 110.353 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 451' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 449' ' ' PHE . 36.2 m-85 -98.41 172.05 7.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 9.21 111.037 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -154.72 93.23 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 2.94 109.237 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 453' ' ' PHE . . . . . 0.5 ' CD1' ' C ' ' A' ' 453' ' ' PHE . 2.2 t80 -49.24 -20.6 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 4.4 110.999 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 49.2 tp -42.69 -27.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.598 1.186 . . . . 3.52 109.324 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.437 ' N ' ' C ' ' A' ' 453' ' ' PHE . 1.8 pt? -161.29 27.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 2.64 109.295 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 456' ' ' GLN . . . . . 0.566 ' HG2' ' CE2' ' A' ' 422' ' ' PHE . 9.7 mp0 39.24 61.15 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 3.52 110.306 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -146.0 151.72 38.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 5.36 110.295 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 4.0 mt -92.63 147.65 5.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 2.04 109.32 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.29 -39.99 4.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 2.49 110.413 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 460' ' ' LYS . . . . . 0.46 ' C ' ' CG2' ' A' ' 461' ' ' THR . 0.0 OUTLIER -158.75 176.34 12.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 5.41 109.25 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 461' ' ' THR . . . . . 0.46 ' CG2' ' C ' ' A' ' 460' ' ' LYS . 5.8 p -150.68 122.41 8.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.581 1.176 . . . . 2.53 110.385 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 462' ' ' LEU . . . . . 0.859 HD12 ' CB ' ' A' ' 466' ' ' SER . 2.3 pt? -125.63 161.31 27.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 1.92 109.339 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.44 148.78 25.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 2.54 109.35 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 3.1 t -47.17 -28.57 1.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 2.24 109.951 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -96.46 58.18 1.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 3.36 109.272 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 466' ' ' SER . . . . . 0.859 ' CB ' HD12 ' A' ' 462' ' ' LEU . 0.4 OUTLIER -116.73 -9.75 11.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 2.53 110.01 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 17.2 m95 -105.8 -58.89 1.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.999 -1.111 . . . . 3.96 107.999 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 468' ' ' PHE . . . . . 0.524 ' CD1' ' HB2' ' A' ' 470' ' ' CYS . 2.7 t80 -42.22 -50.4 4.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 6.97 110.958 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 123.49 44.37 0.32 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.555 1.159 . . . . 2.3 110.995 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 470' ' ' CYS . . . . . 1.073 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 N-CA-C 108.306 -0.998 . . . . 3.67 108.306 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 471' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 277' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.487 0.184 . . . . 9.11 110.978 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -67.52 159.86 75.63 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 7.5 110.29 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -161.83 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.501 1.79 . . . . 3.46 110.989 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 280' ' ' ALA . . . . . 0.594 ' HB1' ' HB2' ' A' ' 283' ' ' ASP . . . -104.71 -67.84 0.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 4.04 109.359 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 281' ' ' LEU . . . . . 0.681 HD22 ' CE2' ' A' ' 468' ' ' PHE . 14.4 mt 60.11 33.91 21.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 3.83 109.331 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 282' ' ' CYS . . . . . 1.06 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 0.8 OUTLIER 159.28 51.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.445 1.091 . . . . 3.44 108.282 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 283' ' ' ASP . . . . . 0.594 ' HB2' ' HB1' ' A' ' 280' ' ' ALA . 3.6 m-20 -178.79 123.78 0.24 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 3.03 109.298 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 87.06 1.36 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.519 1.8 . . . . 2.05 111.039 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 285' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 285' ' ' ASN . 13.1 p-10 178.96 45.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 3.28 109.283 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 3.1 tp -92.25 141.34 28.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 2.44 109.249 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 35.0 p -128.45 148.92 50.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 1.68 109.939 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -128.13 178.44 6.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.557 1.161 . . . . 2.55 110.965 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -106.21 -50.81 3.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 2.78 109.278 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -143.74 137.0 27.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.8 109.331 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 291' ' ' VAL . . . . . 0.511 ' H ' ' HB1' ' A' ' 431' ' ' ALA . 97.2 t -130.79 131.36 64.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 2.88 109.327 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 6.0 t -154.62 158.08 39.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 1.88 110.379 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 293' ' ' THR . . . . . 0.648 HG21 ' HA ' ' A' ' 435' ' ' SER . 14.6 t -106.47 160.03 15.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 2.6 110.38 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 294' ' ' VAL . . . . . 0.77 HG23 ' HB2' ' A' ' 297' ' ' LYS . 21.2 m -149.26 70.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.575 1.172 . . . . 3.5 109.314 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 295' ' ' GLY . . . . . 0.475 ' O ' ' CB ' ' A' ' 296' ' ' ASN . . . 78.08 48.46 7.62 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.424 1.077 . . . . 3.42 110.965 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 296' ' ' ASN . . . . . 0.671 ' O ' HG21 ' A' ' 310' ' ' VAL . 0.2 OUTLIER 80.17 4.51 1.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.759 . . . . 4.25 109.303 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.77 ' HB2' HG23 ' A' ' 294' ' ' VAL . 3.8 mtmm -99.71 115.17 28.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 2.45 109.263 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -86.44 133.52 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 3.9 109.233 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 299' ' ' PHE . . . . . 0.452 ' CE1' HG21 ' A' ' 294' ' ' VAL . 6.0 m-85 -127.32 83.67 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 3.06 110.971 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 300' ' ' PHE . . . . . 0.424 ' HB2' ' CB ' ' A' ' 307' ' ' TRP . 16.2 m-85 -83.64 104.67 13.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 3.81 110.993 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -81.52 143.5 31.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 2.41 111.043 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 11.6 mmtp -109.42 -60.49 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 4.3 109.318 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -166.15 -60.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 2.71 109.309 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.03 -18.53 11.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 4.15 110.279 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 305' ' ' PHE . . . . . 0.529 ' CE1' HD12 ' A' ' 320' ' ' LEU . 20.2 m-85 -124.2 166.92 15.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 2.68 110.982 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 306' ' ' PHE . . . . . 0.525 ' CE2' ' HB3' ' A' ' 319' ' ' ASN . 25.2 p90 -121.54 171.04 9.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 1.73 110.992 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 307' ' ' TRP . . . . . 0.464 ' CE2' ' CB ' ' A' ' 316' ' ' THR . 0.0 OUTLIER -119.41 139.43 52.04 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.009 -1.108 . . . . 5.44 108.009 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 56.3 tp -146.71 112.76 5.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 2.37 109.355 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.83 105.32 2.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 2.31 109.332 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 310' ' ' VAL . . . . . 0.671 HG21 ' O ' ' A' ' 296' ' ' ASN . 0.3 OUTLIER -170.65 -73.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 2.49 109.259 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 311' ' ' SER . . . . . 0.633 ' H ' HG13 ' A' ' 310' ' ' VAL . 31.1 t -36.15 -76.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.598 1.186 . . . . 4.89 110.05 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.03 76.15 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 7.2 110.3 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.3 132.1 23.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 4.12 110.264 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.57 3.7 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.498 1.788 . . . . 3.02 111.031 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 315' ' ' LYS . . . . . 0.403 ' HG2' ' CE2' ' A' ' 468' ' ' PHE . 0.0 OUTLIER -142.09 164.72 29.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 3.45 109.286 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 316' ' ' THR . . . . . 0.464 ' CB ' ' CE2' ' A' ' 307' ' ' TRP . 62.8 p -82.38 126.64 32.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 2.18 110.429 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 16.8 m -99.83 141.73 32.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 2.29 109.989 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 11.8 m -103.57 70.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 2.6 109.261 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 319' ' ' ASN . . . . . 0.525 ' HB3' ' CE2' ' A' ' 306' ' ' PHE . 2.3 m-20 -81.62 162.87 22.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 2.44 109.318 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.529 HD12 ' CE1' ' A' ' 305' ' ' PHE . 0.8 OUTLIER -88.99 153.51 20.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 1.93 109.269 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 321' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.13 -68.34 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 1.1 109.318 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 32.4 t -40.67 -33.05 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 2.85 109.962 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 1.4 t -44.19 -44.24 7.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 1.89 110.011 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 7.2 mt -102.23 -79.83 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 2.43 109.303 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 325' ' ' TRP . . . . . 0.779 ' HB3' HD23 ' A' ' 328' ' ' LEU . 0.2 OUTLIER -47.45 151.71 1.33 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 1.79 108.026 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 -76.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.527 1.804 . . . . 1.55 111.006 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 327' ' ' THR . . . . . 0.77 ' O ' HD22 ' A' ' 328' ' ' LEU . 10.0 t -122.85 95.95 4.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 1.47 110.416 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.86 HD11 HD11 ' A' ' 355' ' ' ILE . 4.5 mm? -130.22 155.4 80.91 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 1.73 109.25 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 329' ' ' PRO . . . . . 0.406 ' HG2' ' CD1' ' A' ' 332' ' ' ILE . 18.3 Cg_endo -74.97 125.06 9.1 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.539 1.81 . . . . 2.19 110.991 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 66.5 m -81.46 142.99 32.41 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.515 1.135 . . . . 2.28 110.003 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 76.16 40.85 28.3 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.123 . . . . 1.18 110.955 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.765 HG13 HD12 ' A' ' 346' ' ' LEU . 33.2 mm -41.84 152.97 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 2.35 109.35 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -100.26 -47.67 4.86 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.437 1.086 . . . . 3.4 110.291 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -144.85 118.62 9.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.91 109.292 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -114.12 136.95 52.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 1.26 109.3 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 336' ' ' TYR . . . . . 0.517 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 9.8 p90 -154.93 126.22 7.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 2.85 111.006 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.81 150.61 20.51 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 1.149 . . . . 3.81 110.306 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 338' ' ' ILE . . . . . 0.575 ' O ' HG23 ' A' ' 338' ' ' ILE . 13.9 tt -119.37 102.23 12.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 3.06 109.294 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -78.2 81.71 4.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 4.09 110.306 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -163.01 -59.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 1.83 109.323 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -103.86 0.55 30.38 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.417 1.073 . . . . 5.71 110.311 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 2.6 t30 60.01 56.57 3.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 2.26 109.333 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 343' ' ' GLN . . . . . 0.586 ' NE2' HD11 ' A' ' 354' ' ' LEU . 14.5 mt-30 -124.99 131.34 53.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 2.75 110.334 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 344' ' ' VAL . . . . . 0.583 HG12 ' CD2' ' A' ' 346' ' ' LEU . 17.9 t -96.7 141.86 14.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.415 1.072 . . . . 1.15 109.327 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 345' ' ' PHE . . . . . 0.688 ' C ' HD22 ' A' ' 346' ' ' LEU . 37.0 m-85 -126.2 125.42 42.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 3.29 111.004 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 0.765 HD12 HG13 ' A' ' 332' ' ' ILE . 4.1 mm? -123.82 114.31 19.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 1.43 109.259 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -88.24 141.37 28.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 2.55 111.011 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 348' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.0 OUTLIER -161.4 114.91 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 3.37 109.277 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 55.49 -149.35 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 4.3 109.287 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 350' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 12.0 p-10 -88.71 41.05 1.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 3.0 109.357 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 366' ' ' LYS . 25.9 mtmt -155.87 153.32 29.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 2.14 109.341 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 352' ' ' TYR . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 366' ' ' LYS . 24.3 p90 -145.38 138.63 26.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 2.66 111.04 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -97.81 166.59 11.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 3.73 107.98 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 354' ' ' LEU . . . . . 0.586 HD11 ' NE2' ' A' ' 343' ' ' GLN . 4.6 tp -132.18 120.45 22.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 2.36 109.268 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.86 HD11 HD11 ' A' ' 328' ' ' LEU . 4.6 mp -97.73 99.03 8.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 1.65 109.311 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 15.1 t -102.13 125.71 48.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 2.3 109.988 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 60.57 42.4 14.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 3.84 109.291 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 1.9 mt 59.54 39.8 21.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 4.74 109.27 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -152.4 122.46 3.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 4.61 110.329 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 360' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 361' ' ' GLU . 18.2 Cg_endo -74.98 111.32 3.3 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.775 . . . . 1.31 110.921 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 361' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 360' ' ' PRO . 3.6 mm-40 -36.96 126.79 0.78 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.102 . . . . 3.06 110.277 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 128.49 11.58 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.431 1.753 . . . . 2.41 110.986 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 363' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 62.55 60.49 1.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 4.39 109.321 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 364' ' ' TYR . . . . . 0.511 ' N ' ' HD3' ' A' ' 365' ' ' PRO . 1.4 t80 -135.27 58.09 24.3 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 3.47 110.967 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 365' ' ' PRO . . . . . 0.511 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.1 Cg_endo -75.01 53.16 3.26 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.502 1.79 . . . . 1.68 110.936 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 366' ' ' LYS . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 352' ' ' TYR . 9.3 mmpt? -48.77 133.68 17.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.451 1.094 . . . . 2.3 109.325 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 3.7 m -115.39 127.72 55.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 2.43 110.071 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 368' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 372' ' ' GLY . 20.7 pt -49.52 -29.81 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 1.69 109.306 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 369' ' ' HIS . . . . . 0.45 ' HA ' ' CB ' ' A' ' 373' ' ' PHE . 53.1 t-80 -60.66 -32.22 71.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 3.71 109.597 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 4.4 p -48.46 -22.93 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 3.46 110.036 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 175.52 59.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 6.49 110.922 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 372' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 368' ' ' ILE . . . -170.42 -68.01 0.04 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.453 1.096 . . . . 2.76 110.985 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 373' ' ' PHE . . . . . 0.485 ' CZ ' ' O ' ' A' ' 377' ' ' VAL . 2.5 t80 -44.42 102.94 0.31 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.436 0.727 . . . . 7.05 111.004 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 374' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -62.51 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.521 1.801 . . . . 3.73 111.038 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 2.0 t30 169.66 43.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 7.12 109.343 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 376' ' ' PHE . . . . . 0.417 ' O ' ' O ' ' A' ' 377' ' ' VAL . 3.0 t80 -166.18 -54.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 4.97 111.01 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 377' ' ' VAL . . . . . 0.485 ' O ' ' CZ ' ' A' ' 373' ' ' PHE . 2.2 p -42.87 164.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 2.07 109.216 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.38 -38.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 4.08 109.29 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.29 131.11 25.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 1.76 109.289 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 13.8 mt -100.62 146.71 8.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.94 109.282 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.1 -46.02 9.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 2.3 109.315 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 382' ' ' ALA . . . . . 0.886 ' HB1' HG22 ' A' ' 432' ' ' VAL . . . -156.62 165.04 37.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 1.02 109.261 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -167.1 132.33 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 1.26 109.297 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 384' ' ' VAL . . . . . 0.463 HG22 ' H ' ' A' ' 385' ' ' PHE . 8.0 p -134.28 168.94 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 2.08 109.294 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 385' ' ' PHE . . . . . 0.486 ' CZ ' HD11 ' A' ' 338' ' ' ILE . 22.7 t80 -125.11 136.41 53.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.133 . . . . 1.78 111.002 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 386' ' ' ASN . . . . . 0.434 ' HB3' ' CB ' ' A' ' 389' ' ' PHE . 0.6 OUTLIER -101.47 122.37 48.22 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 2.08 109.333 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -33.02 4.92 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.468 1.773 . . . . 2.18 111.058 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.06 26.08 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 3.63 110.26 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 389' ' ' PHE . . . . . 0.593 ' C ' ' CG ' ' A' ' 390' ' ' TYR . 2.2 t80 -151.87 -37.01 0.12 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.396 1.06 . . . . 4.14 111.027 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 390' ' ' TYR . . . . . 0.593 ' CG ' ' C ' ' A' ' 389' ' ' PHE . 2.0 m-85 73.51 46.11 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 2.36 110.956 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 391' ' ' ARG . . . . . 0.453 ' NH1' ' OD2' ' A' ' 404' ' ' ASP . 22.2 mtt-85 -148.52 156.29 42.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 4.78 110.372 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 392' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' A' ' 384' ' ' VAL . 20.4 m -117.27 122.44 43.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 1.17 110.446 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -78.79 153.07 31.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 2.34 111.01 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -128.03 110.29 12.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 2.83 110.945 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 395' ' ' PHE . . . . . 0.725 ' CE2' HG21 ' A' ' 432' ' ' VAL . 61.0 m-85 -97.48 116.09 29.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 1.04 110.972 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 95.7 t -135.55 124.04 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 2.05 109.313 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 1.5 t0 47.18 -149.95 0.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 4.97 109.274 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 398' ' ' ASN . . . . . 0.487 ' O ' ' CD1' ' A' ' 417' ' ' LEU . 4.8 m120 -84.01 50.01 1.75 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.519 1.137 . . . . 4.19 109.321 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -144.52 155.44 43.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 3.69 110.244 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -121.7 119.33 31.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 2.2 110.949 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -115.38 166.7 11.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 5.82 108.034 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -155.35 129.1 8.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.406 1.066 . . . . 3.02 110.377 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -108.18 148.95 29.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 4.64 111.015 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 404' ' ' ASP . . . . . 0.453 ' OD2' ' NH1' ' A' ' 391' ' ' ARG . 0.2 OUTLIER -95.45 129.23 42.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.148 . . . . 2.52 109.323 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -89.75 -48.35 7.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 3.11 110.317 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -62.55 -67.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 7.16 110.272 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -59.7 -41.71 91.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 2.72 110.279 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 74.09 46.77 0.17 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.15 . . . . 4.39 110.353 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 11.0 tpt -143.98 102.81 3.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.138 . . . . 3.1 110.999 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.83 127.01 19.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 2.53 111.046 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 12.4 p30 -48.15 135.78 11.76 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 5.07 109.255 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 108.23 2.67 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 2.31 110.994 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 50.14 101.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.548 1.155 . . . . 2.08 111.005 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 414' ' ' TYR . . . . . 0.544 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 2.6 t80 -137.39 63.02 40.12 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.428 0.722 . . . . 1.98 110.982 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 415' ' ' PRO . . . . . 0.417 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.5 Cg_endo -74.94 69.01 5.61 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.515 1.797 . . . . 1.72 111.012 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 416' ' ' LYS . . . . . 0.544 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 2.1 mmtm -87.94 -171.2 3.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 3.79 109.286 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 417' ' ' LEU . . . . . 0.487 ' CD1' ' O ' ' A' ' 398' ' ' ASN . 9.7 tp -130.79 142.99 50.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 2.34 109.347 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.857 HG22 HD11 ' A' ' 425' ' ' ILE . 1.5 mp -70.25 -72.59 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.585 1.178 . . . . 1.05 109.297 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 419' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 418' ' ' ILE . 0.2 OUTLIER -33.53 -44.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 1.28 110.449 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -58.35 -67.57 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 1.6 109.27 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -41.95 -50.84 4.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 2.13 109.271 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 422' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -130.1 106.72 8.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 2.7 111.053 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -84.57 109.23 17.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 1.84 110.257 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 146.92 -28.51 1.57 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.546 1.153 . . . . 1.31 110.964 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 425' ' ' ILE . . . . . 0.857 HD11 HG22 ' A' ' 418' ' ' ILE . 51.0 pt -81.85 -42.75 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 2.21 109.338 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 426' ' ' GLY . . . . . 0.41 ' N ' HG13 ' A' ' 425' ' ' ILE . . . 120.95 170.98 14.21 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.573 1.171 . . . . 1.02 110.932 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 427' ' ' PRO . . . . . 0.442 ' O ' ' CD1' ' A' ' 418' ' ' ILE . 18.5 Cg_endo -74.94 -30.21 7.52 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.472 1.775 . . . . 1.42 111.021 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.34 146.82 38.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 2.61 109.322 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 429' ' ' ILE . . . . . 0.436 HD13 ' HD2' ' A' ' 442' ' ' PHE . 11.1 tp -132.21 157.69 43.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 1.69 109.321 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.63 -69.44 0.86 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 2.16 109.252 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.537 ' O ' HG13 ' A' ' 432' ' ' VAL . . . -131.02 158.03 41.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.76 109.297 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.886 HG22 ' HB1' ' A' ' 382' ' ' ALA . 27.0 m -157.34 137.09 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.567 1.167 . . . . 2.91 109.268 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -153.64 172.92 16.48 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.447 1.092 . . . . 2.92 110.955 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -121.72 100.21 6.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 3.72 111.014 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 435' ' ' SER . . . . . 0.648 ' HA ' HG21 ' A' ' 293' ' ' THR . 0.4 OUTLIER -112.68 -27.8 8.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 2.48 110.032 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 436' ' ' LYS . . . . . 0.431 ' HG2' ' CE2' ' A' ' 441' ' ' TYR . 7.9 mmtt -66.6 -169.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 3.77 109.328 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -89.45 -45.36 9.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 3.88 109.266 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 438' ' ' LYS . . . . . 0.59 ' O ' ' CD1' ' A' ' 439' ' ' TYR . 0.0 OUTLIER -153.61 63.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 4.15 109.27 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 439' ' ' TYR . . . . . 0.59 ' CD1' ' O ' ' A' ' 438' ' ' LYS . 18.8 m-85 -148.64 -179.65 7.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 2.8 111.006 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -134.14 123.98 25.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 3.39 111.025 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 441' ' ' TYR . . . . . 0.577 ' CE1' ' HG3' ' A' ' 450' ' ' GLU . 4.2 m-85 -97.21 124.7 41.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 2.88 110.967 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 442' ' ' PHE . . . . . 0.492 ' CE2' HD12 ' A' ' 425' ' ' ILE . 7.2 m-85 -129.56 142.07 50.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 3.52 111.029 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 443' ' ' PHE . . . . . 0.551 ' CD1' ' C ' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -148.82 145.25 27.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 4.98 110.945 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -157.22 92.29 1.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 5.36 110.3 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 119.85 -83.04 0.35 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 1.76 110.98 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 4.9 p -162.08 41.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 1.81 110.066 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -141.21 136.86 32.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 2.33 109.323 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 448' ' ' GLN . . . . . 0.518 ' CB ' HD21 ' A' ' 462' ' ' LEU . 1.2 mt-30 -113.88 96.68 5.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 2.85 110.338 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 449' ' ' PHE . . . . . 0.854 ' CE1' HG22 ' A' ' 461' ' ' THR . 76.8 m-85 -99.64 148.47 24.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 2.96 111.036 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 0.577 ' HG3' ' CE1' ' A' ' 441' ' ' TYR . 0.3 OUTLIER -127.44 126.96 43.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 3.55 110.274 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 451' ' ' TYR . . . . . 0.404 ' O ' ' OE1' ' A' ' 450' ' ' GLU . 0.5 OUTLIER -89.3 164.22 15.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 2.85 111.001 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -141.98 106.85 4.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 3.51 109.315 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -57.91 -20.1 34.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 3.35 110.973 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 18.6 tp -42.23 -38.36 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 2.65 109.308 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.596 HD23 ' N ' ' A' ' 455' ' ' LEU . 1.5 pt? -170.71 33.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 2.8 109.24 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 49.39 56.03 8.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 3.06 110.281 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.92 129.62 52.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.15 . . . . 5.68 110.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 90.6 mt -98.19 102.47 13.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 1.95 109.272 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 19.7 p -107.53 51.3 0.75 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 3.19 110.46 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.5 114.34 2.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 4.17 109.292 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 461' ' ' THR . . . . . 0.854 HG22 ' CE1' ' A' ' 449' ' ' PHE . 21.8 p -142.74 71.96 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 2.52 110.437 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 462' ' ' LEU . . . . . 0.518 HD21 ' CB ' ' A' ' 448' ' ' GLN . 1.7 pt? -106.88 162.97 13.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 2.12 109.265 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.45 149.8 21.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 2.56 109.321 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 47.4 t -41.1 -49.42 3.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 1.54 109.954 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 50.4 m-20 -88.16 62.88 6.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 3.15 109.274 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 466' ' ' SER . . . . . 0.515 ' OG ' HD12 ' A' ' 462' ' ' LEU . 2.6 t -113.29 -13.04 12.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 2.51 109.981 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -104.23 -49.07 3.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 4.19 108.059 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 468' ' ' PHE . . . . . 0.681 ' CE2' HD22 ' A' ' 281' ' ' LEU . 8.8 t80 -48.53 -53.15 19.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 7.32 110.96 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 110.54 71.68 0.66 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.559 1.162 . . . . 2.26 110.943 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 470' ' ' CYS . . . . . 1.06 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 N-CA-C 108.305 -0.998 . . . . 3.34 108.305 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 471' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 277' ' ' MET . . . . . 0.405 ' N ' ' HE3' ' A' ' 302' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.46 0.171 . . . . 7.64 110.994 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 278' ' ' GLU . . . . . 0.567 ' N ' ' CD ' ' A' ' 279' ' ' PRO . 0.1 OUTLIER -57.88 -48.01 97.9 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.494 1.121 . . . . 5.82 110.325 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 279' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 278' ' ' GLU . 18.1 Cg_endo -75.07 54.03 3.55 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.482 1.78 . . . . 4.45 110.966 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 280' ' ' ALA . . . . . 0.484 ' HB2' HD22 ' A' ' 285' ' ' ASN . . . -169.87 44.63 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 4.0 109.319 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 281' ' ' LEU . . . . . 0.83 HD22 ' HB3' ' A' ' 468' ' ' PHE . 12.2 mt -89.66 -15.16 33.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 2.92 109.286 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 282' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.94 -60.21 1.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 3.4 108.265 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -60.18 138.03 91.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 3.59 109.371 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 85.03 1.58 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.474 1.776 . . . . 2.6 110.979 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 285' ' ' ASN . . . . . 0.484 HD22 ' HB2' ' A' ' 280' ' ' ALA . 13.5 p-10 -164.71 34.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 3.82 109.276 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 4.0 tp -103.93 140.22 38.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 3.01 109.295 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 38.5 p -146.18 164.93 30.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 1.42 109.974 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -129.17 176.63 7.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.75 111.011 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -118.3 -54.12 2.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 2.17 109.235 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 290' ' ' ALA . . . . . 0.889 ' HB2' ' O ' ' A' ' 333' ' ' GLU . . . -153.34 155.11 35.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 1.11 109.362 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 291' ' ' VAL . . . . . 1.005 HG21 ' CZ ' ' A' ' 442' ' ' PHE . 13.7 m -147.12 160.49 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 2.17 109.274 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 292' ' ' THR . . . . . 0.51 ' HB ' ' HB1' ' A' ' 335' ' ' ALA . 4.7 t -153.3 133.86 13.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 1.72 110.361 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -102.18 141.89 34.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.561 1.163 . . . . 2.13 110.424 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 294' ' ' VAL . . . . . 0.67 HG22 ' OE1' ' A' ' 337' ' ' GLU . 53.0 t -141.34 83.71 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 2.13 109.26 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 98.06 -114.71 5.08 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.454 1.096 . . . . 1.57 111.057 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -116.53 14.5 15.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 0.745 . . . . 3.42 109.366 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -117.43 147.94 42.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 3.56 109.318 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 298' ' ' ILE . . . . . 0.881 ' H ' HG11 ' A' ' 310' ' ' VAL . 6.4 mm -117.18 158.9 17.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 3.99 109.281 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -133.08 124.24 27.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 2.67 111.032 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 300' ' ' PHE . . . . . 0.729 ' HA ' HG12 ' A' ' 291' ' ' VAL . 84.0 m-85 -114.34 126.67 55.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 2.59 111.024 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -113.64 150.51 33.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 2.09 110.995 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 302' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 305' ' ' PHE . 0.0 OUTLIER -149.08 87.63 1.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 2.97 109.343 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 66.9 -78.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 2.72 109.32 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.44 -36.34 2.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.4 1.063 . . . . 5.15 110.328 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 305' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 302' ' ' LYS . 46.2 m-85 -86.08 144.67 27.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 3.09 110.986 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 306' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -123.42 135.3 54.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 1.7 111.003 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 307' ' ' TRP . . . . . 0.51 ' CZ3' ' N ' ' A' ' 318' ' ' VAL . 1.3 m95 -87.84 169.7 11.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 5.91 108.074 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 308' ' ' LEU . 0.2 OUTLIER -155.27 116.6 3.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 1.97 109.344 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 309' ' ' LYS . . . . . 0.506 ' HD3' HG22 ' A' ' 316' ' ' THR . 8.8 tptp -151.1 95.25 2.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.428 1.08 . . . . 2.21 109.314 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 310' ' ' VAL . . . . . 0.881 HG11 ' H ' ' A' ' 298' ' ' ILE . 7.1 p -175.46 168.92 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 2.07 109.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 311' ' ' SER . . . . . 0.545 ' N ' HG22 ' A' ' 310' ' ' VAL . 34.2 t 45.05 90.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 3.93 109.985 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 312' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 311' ' ' SER . 8.3 pt-20 35.74 73.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 4.57 110.32 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.72 103.3 53.88 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 4.18 110.263 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -26.44 11.09 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.463 1.77 . . . . 1.96 111.006 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -150.03 146.14 26.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 4.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 316' ' ' THR . . . . . 0.506 HG22 ' HD3' ' A' ' 309' ' ' LYS . 10.7 p -83.69 158.37 21.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 1.17 110.407 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.98 116.23 18.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.457 1.098 . . . . 1.94 110.01 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 318' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 318' ' ' VAL . 7.9 p -98.67 100.14 9.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 3.1 109.244 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -122.62 175.97 6.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 2.63 109.305 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.49 160.72 20.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.085 . . . . 1.78 109.355 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 321' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 322' ' ' SER . 8.3 mt -70.2 -60.82 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 1.23 109.317 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 322' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 325' ' ' TRP . 4.3 m -38.04 -47.03 1.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 1.72 110.049 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 17.5 m -39.79 -38.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 1.53 110.028 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.21 -85.6 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 2.83 109.25 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 325' ' ' TRP . . . . . 0.615 ' HB3' HD23 ' A' ' 328' ' ' LEU . 0.1 OUTLIER -58.72 151.09 54.74 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 2.18 107.967 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -66.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 1.03 111.009 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 327' ' ' THR . . . . . 0.647 ' O ' HD22 ' A' ' 328' ' ' LEU . 0.0 OUTLIER -122.72 94.34 4.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 1.63 110.356 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.647 HD22 ' O ' ' A' ' 327' ' ' THR . 1.8 mm? -124.74 153.63 70.32 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 1.43 109.317 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 133.57 16.76 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.553 1.817 . . . . 2.1 111.038 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 2.0 m -84.55 130.78 34.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 2.28 109.962 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 85.33 51.0 3.85 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.108 . . . . 1.31 110.936 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.747 HG21 HD12 ' A' ' 346' ' ' LEU . 3.5 mp -53.78 140.03 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 1.87 109.356 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 333' ' ' GLU . . . . . 0.889 ' O ' ' HB2' ' A' ' 290' ' ' ALA . 10.4 mm-40 -104.13 -53.39 2.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.55 1.156 . . . . 2.85 110.345 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 334' ' ' ALA . . . . . 1.009 ' HB1' ' HB2' ' A' ' 383' ' ' ALA . . . -127.78 110.77 12.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 1.32 109.339 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 335' ' ' ALA . . . . . 0.51 ' HB1' ' HB ' ' A' ' 292' ' ' THR . . . -109.59 115.13 29.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 1.11 109.296 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 336' ' ' TYR . . . . . 0.508 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 13.2 p90 -148.75 125.14 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 3.56 110.96 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 337' ' ' GLU . . . . . 0.67 ' OE1' HG22 ' A' ' 294' ' ' VAL . 0.9 OUTLIER -94.75 160.38 14.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 3.76 110.285 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 338' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 338' ' ' ILE . 4.0 mp -99.97 85.08 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 4.84 109.304 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.65 76.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 3.52 110.311 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 340' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 338' ' ' ILE . . . -158.9 -53.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 1.95 109.284 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -108.73 14.16 24.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 3.75 110.273 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 3.3 t30 58.91 63.22 1.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 2.11 109.292 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -126.77 179.95 5.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 4.07 110.286 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 344' ' ' VAL . . . . . . . . . . . . . 3.8 t -141.27 153.46 20.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 1.61 109.259 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 345' ' ' PHE . . . . . 0.606 ' C ' HD22 ' A' ' 346' ' ' LEU . 0.2 OUTLIER -147.75 137.16 22.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 3.07 110.99 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 0.747 HD12 HG21 ' A' ' 332' ' ' ILE . 3.5 mm? -131.44 159.91 36.69 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.442 1.089 . . . . 1.74 109.324 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -136.44 146.16 46.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 2.98 111.043 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 348' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.3 OUTLIER -167.95 130.2 1.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 3.05 109.246 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.8 t70 54.32 -150.31 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 3.18 109.287 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 350' ' ' ASP . . . . . 0.499 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 7.1 t0 -88.25 41.62 1.02 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 3.6 109.25 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 19.3 mttp -155.91 155.43 32.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 2.3 109.336 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 352' ' ' TYR . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 366' ' ' LYS . 26.3 p90 -138.93 136.08 35.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 2.88 111.016 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -102.4 170.58 7.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 4.06 107.988 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 354' ' ' LEU . . . . . 0.691 ' C ' HD12 ' A' ' 355' ' ' ILE . 0.0 OUTLIER -148.23 137.73 22.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 4.01 109.285 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.691 HD12 ' C ' ' A' ' 354' ' ' LEU . 1.7 mp -112.59 125.68 69.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 1.32 109.29 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 356' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 358' ' ' LEU . 0.5 OUTLIER -94.43 92.94 7.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 1.89 110.003 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 357' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 356' ' ' SER . 0.7 OUTLIER 70.29 -58.14 0.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 4.04 109.317 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 358' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 356' ' ' SER . 4.0 tp -147.87 -52.53 0.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 3.71 109.264 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -89.35 121.35 69.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 4.72 110.297 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 360' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -162.03 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.473 1.775 . . . . 2.21 110.969 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 361' ' ' GLU . . . . . 0.425 ' HG3' HD11 ' A' ' 354' ' ' LEU . 3.4 mm-40 -86.89 157.45 54.55 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 2.83 110.254 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 362' ' ' PRO . . . . . 0.463 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.5 Cg_endo -74.99 66.5 6.01 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.436 1.756 . . . . 2.24 110.965 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 363' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 0.7 OUTLIER 79.9 104.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 4.56 109.28 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 364' ' ' TYR . . . . . 0.546 ' CD2' ' HD2' ' A' ' 366' ' ' LYS . 0.4 OUTLIER -127.0 65.58 64.44 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 3.22 111.001 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 365' ' ' PRO . . . . . 0.44 ' HD3' ' C ' ' A' ' 363' ' ' ASN . 18.3 Cg_endo -75.0 55.62 4.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.504 1.792 . . . . 1.26 110.999 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 366' ' ' LYS . . . . . 0.546 ' HD2' ' CD2' ' A' ' 364' ' ' TYR . 0.0 OUTLIER -76.95 171.98 13.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 2.07 109.269 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 42.5 m -136.44 131.13 33.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 2.05 110.034 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 29.6 pt -52.18 -37.54 22.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 1.76 109.358 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -55.96 -18.07 8.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 2.66 109.636 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 21.9 m -67.5 -14.59 63.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 2.52 110.026 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 371' ' ' PHE . . . . . 0.557 ' CG ' ' O ' ' A' ' 371' ' ' PHE . 6.1 p90 -167.4 56.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 6.27 110.966 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 372' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -163.5 -49.94 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.469 1.105 . . . . 2.88 110.983 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 373' ' ' PHE . . . . . 0.436 ' N ' ' HD3' ' A' ' 374' ' ' PRO . 32.7 t80 35.85 62.3 2.67 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.568 0.805 . . . . 6.76 111.012 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 374' ' ' PRO . . . . . 0.436 ' HD3' ' N ' ' A' ' 373' ' ' PHE . 18.2 Cg_endo -74.97 -164.89 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.576 1.83 . . . . 2.23 111.006 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -74.6 -50.8 16.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 6.28 109.4 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -172.24 78.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 4.76 110.959 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 377' ' ' VAL . . . . . . . . . . . . . 83.2 t -104.57 158.71 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 2.64 109.32 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -172.79 -41.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.077 . . . . 2.95 109.26 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -127.52 122.89 34.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 1.62 109.335 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 380' ' ' ILE . . . . . 0.575 HG22 ' H ' ' A' ' 381' ' ' ASP . 5.3 mm -92.01 172.23 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 2.19 109.288 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 381' ' ' ASP . . . . . 0.581 ' O ' 'CA ' ' A' ' 471' ' ' ' CA' . 25.4 m-20 -113.81 -47.31 2.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 2.33 109.288 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 382' ' ' ALA . . . . . 0.54 ' CB ' HG12 ' A' ' 432' ' ' VAL . . . -159.85 170.47 21.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 1.09 109.296 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 383' ' ' ALA . . . . . 1.009 ' HB2' ' HB1' ' A' ' 334' ' ' ALA . . . -149.57 117.72 6.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 1.19 109.273 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 384' ' ' VAL . . . . . 0.4 HG13 ' CD1' ' A' ' 434' ' ' TYR . 4.3 t -128.7 139.86 50.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 2.16 109.297 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 385' ' ' PHE . . . . . 0.494 ' HD1' ' HH ' ' A' ' 434' ' ' TYR . 13.9 t80 -103.22 139.58 38.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 1.96 110.98 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -113.34 117.25 45.58 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.077 . . . . 2.71 109.296 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -15.02 20.95 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.499 1.789 . . . . 1.75 110.999 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.7 -48.14 17.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 2.26 110.283 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -91.77 -5.87 52.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 2.61 110.999 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 57.0 29.74 16.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 2.55 110.979 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 2.0 mtm-85 -129.92 178.75 6.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 3.76 110.309 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 37.5 m -126.69 128.64 47.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.72 110.379 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 393' ' ' TYR . . . . . 0.486 ' CE2' ' OH ' ' A' ' 400' ' ' TYR . 8.7 m-85 -85.28 125.32 32.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 1.68 110.985 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -107.47 107.48 18.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 2.31 111.047 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -85.39 108.36 17.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 1.83 111.005 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 396' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 396' ' ' VAL . 21.7 m -129.38 120.2 50.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 3.08 109.329 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 52.9 -149.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 3.27 109.305 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 398' ' ' ASN . . . . . 0.45 ' O ' ' CD1' ' A' ' 417' ' ' LEU . 2.3 m120 -89.87 49.65 1.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.179 . . . . 4.73 109.256 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 399' ' ' GLN . . . . . 0.465 ' O ' HD11 ' A' ' 418' ' ' ILE . 16.0 mm100 -146.98 165.82 28.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 4.45 110.273 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 400' ' ' TYR . . . . . 0.486 ' OH ' ' CE2' ' A' ' 393' ' ' TYR . 1.6 t80 -121.46 125.56 47.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 2.74 110.997 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -119.57 160.76 21.83 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.981 -1.118 . . . . 5.61 107.981 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -153.77 117.78 4.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 3.33 110.282 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -109.54 126.58 53.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 5.05 111.103 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.28 121.98 16.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 1.89 109.284 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -91.84 -42.49 10.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 3.05 110.343 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.29 -53.6 34.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 5.51 110.281 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.38 -39.75 62.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 2.66 110.258 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 74.14 54.28 0.1 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 2.94 110.294 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -150.36 96.92 2.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.539 1.15 . . . . 2.6 110.995 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.69 125.87 18.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 3.57 110.991 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.54 143.99 45.58 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 2.56 109.253 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 412' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 413' ' ' GLY . 18.5 Cg_endo -74.98 105.16 2.03 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.774 . . . . 2.28 111.04 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 413' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 412' ' ' PRO . . . 51.03 103.25 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 1.87 110.995 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 414' ' ' TYR . . . . . 0.531 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 1.9 t80 -137.51 62.9 38.75 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.764 . . . . 1.83 111.03 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 415' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.2 Cg_endo -75.01 72.22 4.74 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.45 1.763 . . . . 1.74 111.011 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 416' ' ' LYS . . . . . 0.531 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 6.5 mmtt -85.13 -175.04 5.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 2.57 109.253 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 417' ' ' LEU . . . . . 0.45 ' CD1' ' O ' ' A' ' 398' ' ' ASN . 22.4 tp -132.67 137.58 47.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 2.96 109.289 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.465 HD11 ' O ' ' A' ' 399' ' ' GLN . 0.6 OUTLIER -70.27 -38.53 74.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 1.33 109.357 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.55 -40.6 95.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 2.25 110.363 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 420' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 421' ' ' ASN . 60.4 mttt -63.44 -75.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 1.57 109.309 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 421' ' ' ASN . . . . . 0.652 ' ND2' ' CZ ' ' A' ' 422' ' ' PHE . 32.4 t-20 -39.86 -56.98 1.67 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 2.44 109.337 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 422' ' ' PHE . . . . . 0.652 ' CZ ' ' ND2' ' A' ' 421' ' ' ASN . 11.7 m-85 -106.18 89.59 3.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 3.82 111.04 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -73.08 140.0 46.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 2.46 110.373 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 92.91 -20.06 47.88 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.543 1.152 . . . . 1.62 110.999 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 425' ' ' ILE . . . . . 0.539 HD11 ' CD1' ' A' ' 451' ' ' TYR . 5.5 mm -68.65 -81.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 3.75 109.315 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 161.25 165.11 17.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 1.09 111.016 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.11 18.96 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.567 1.825 . . . . 1.89 111.061 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.42 145.42 26.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 4.26 109.294 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 429' ' ' ILE . . . . . 0.89 HD11 ' OH ' ' A' ' 440' ' ' TYR . 0.2 OUTLIER -125.21 121.88 61.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 3.05 109.309 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -57.93 -35.84 71.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 2.35 109.359 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.587 ' HB3' ' HE2' ' A' ' 442' ' ' PHE . . . -170.27 157.12 6.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.584 1.178 . . . . 1.23 109.283 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.54 HG12 ' CB ' ' A' ' 382' ' ' ALA . 6.5 p -161.21 152.51 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 2.19 109.291 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 433' ' ' PHE . . . . . 0.558 ' O ' ' CD1' ' A' ' 433' ' ' PHE . 0.0 OUTLIER -152.47 152.9 32.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 3.99 110.952 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 434' ' ' TYR . . . . . 0.559 ' CG ' ' O ' ' A' ' 434' ' ' TYR . 5.8 p90 -126.45 124.01 39.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 7.02 110.936 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 435' ' ' SER . . . . . 0.44 ' HB3' ' CE2' ' A' ' 433' ' ' PHE . 24.1 p -120.26 12.96 11.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 3.71 109.985 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 436' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.34 -170.84 2.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 6.85 109.329 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -63.72 -73.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 9.38 109.299 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 438' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 438' ' ' LYS . 2.7 tttt -132.89 61.1 1.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 7.45 109.343 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -130.16 136.09 48.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 3.44 111.006 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 440' ' ' TYR . . . . . 0.89 ' OH ' HD11 ' A' ' 429' ' ' ILE . 0.1 OUTLIER -127.17 131.01 50.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 11.58 110.999 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 441' ' ' TYR . . . . . 0.591 ' CD1' ' N ' ' A' ' 441' ' ' TYR . 0.0 OUTLIER -157.23 101.09 1.88 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.584 1.177 . . . . 5.96 111.029 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 442' ' ' PHE . . . . . 1.005 ' CZ ' HG21 ' A' ' 291' ' ' VAL . 4.3 t80 -155.6 175.82 13.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 10.66 110.937 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 443' ' ' PHE . . . . . 0.631 ' CE1' ' CG ' ' A' ' 448' ' ' GLN . 46.9 m-85 -78.28 151.52 32.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 5.44 110.955 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 444' ' ' GLN . . . . . 0.415 ' O ' ' CD ' ' A' ' 444' ' ' GLN . 8.2 tm0? -138.36 72.24 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 4.03 110.254 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 445' ' ' GLY . . . . . 0.401 ' O ' ' CB ' ' A' ' 446' ' ' SER . . . 97.81 -38.71 2.99 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.436 1.085 . . . . 2.17 111.004 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 446' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 445' ' ' GLY . 0.4 OUTLIER 165.75 41.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 2.09 109.969 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 447' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 443' ' ' PHE . 0.6 OUTLIER -154.71 120.09 5.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 2.25 109.282 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 448' ' ' GLN . . . . . 0.631 ' CG ' ' CE1' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -100.77 112.08 24.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 3.9 110.323 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 449' ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' A' ' 449' ' ' PHE . 1.7 p90 -139.87 163.43 32.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 4.2 110.974 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 0.431 ' O ' HG23 ' A' ' 458' ' ' ILE . 0.5 OUTLIER -111.29 147.41 35.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 4.08 110.347 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 451' ' ' TYR . . . . . 0.539 ' CD1' HD11 ' A' ' 425' ' ' ILE . 85.4 t80 -133.85 100.09 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.08 . . . . 2.91 110.994 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -89.18 111.04 21.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 3.38 109.283 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -57.87 -15.81 9.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 4.02 111.024 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 12.2 tp -45.3 -26.82 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 2.51 109.302 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 456' ' ' GLN . 2.3 pt? -174.35 33.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.383 1.052 . . . . 1.89 109.292 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 456' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 455' ' ' LEU . 15.5 pt20 35.93 63.98 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 4.3 110.335 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -122.29 136.65 54.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 3.07 110.3 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 458' ' ' ILE . . . . . 0.431 HG23 ' O ' ' A' ' 450' ' ' GLU . 14.0 mt -108.46 93.78 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 1.53 109.343 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 2.7 t -102.87 38.91 1.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 3.1 110.437 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -159.95 124.83 3.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 2.96 109.313 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 1.1 p -138.83 73.7 1.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 2.86 110.462 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 462' ' ' LEU . . . . . 0.883 HD11 ' CB ' ' A' ' 466' ' ' SER . 27.0 tp -99.23 161.38 13.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 3.66 109.316 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 463' ' ' LYS . . . . . 0.463 ' N ' ' HG ' ' A' ' 462' ' ' LEU . 4.2 mmpp? -78.0 176.87 8.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 2.91 109.26 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 464' ' ' SER . . . . . 0.613 ' HA ' ' CD1' ' A' ' 443' ' ' PHE . 7.5 t -73.2 -44.82 59.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 2.32 110.032 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 465' ' ' ASN . . . . . 0.548 ' ND2' ' O ' ' A' ' 465' ' ' ASN . 0.8 OUTLIER -121.01 79.13 1.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 2.97 109.288 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 466' ' ' SER . . . . . 0.883 ' CB ' HD11 ' A' ' 462' ' ' LEU . 0.4 OUTLIER -114.67 5.79 15.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 4.2 109.956 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -132.46 -49.97 0.92 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.055 -1.091 . . . . 6.12 108.055 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 468' ' ' PHE . . . . . 0.83 ' HB3' HD22 ' A' ' 281' ' ' LEU . 16.4 m-85 -47.4 -63.96 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 7.28 111.017 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -112.44 -64.84 0.48 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.494 1.121 . . . . 4.37 111.045 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 60.5 m . . . . . 0 C--N 1.326 -0.449 0 N-CA-C 108.257 -1.016 . . . . 3.69 108.257 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 471' ' ' ' CA' . . . . . 0.581 'CA ' ' O ' ' A' ' 381' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 277' ' ' MET . . . . . 0.723 ' HA ' HG13 ' A' ' 318' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.539 0.209 . . . . 8.47 110.984 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 278' ' ' GLU . . . . . 0.494 ' N ' ' HD3' ' A' ' 279' ' ' PRO . 0.0 OUTLIER -136.9 59.52 23.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 8.15 110.275 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 279' ' ' PRO . . . . . 0.614 ' O ' ' HB2' ' A' ' 280' ' ' ALA . 18.2 Cg_endo -75.05 -52.24 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.605 1.845 . . . . 3.2 110.985 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 280' ' ' ALA . . . . . 0.614 ' HB2' ' O ' ' A' ' 279' ' ' PRO . . . 169.25 104.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.569 1.168 . . . . 2.91 109.351 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 281' ' ' LEU . . . . . 0.5 ' HB3' ' CE2' ' A' ' 468' ' ' PHE . 24.9 mt -94.33 94.12 8.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 3.07 109.261 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 282' ' ' CYS . . . . . 1.081 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 42.1 t -178.44 -51.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 3.24 108.286 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.21 149.89 40.76 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 3.73 109.258 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 97.72 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.469 1.773 . . . . 2.04 111.008 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -156.8 30.64 0.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 3.4 109.257 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 286' ' ' LEU . . . . . 0.956 HD11 ' CZ2' ' A' ' 307' ' ' TRP . 27.5 tp -110.92 157.85 19.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 2.58 109.256 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 79.1 p -144.87 162.83 35.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 1.37 110.04 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -129.64 171.75 12.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 2.46 111.052 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -122.2 -43.17 2.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 3.61 109.305 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 290' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 333' ' ' GLU . . . -155.15 131.16 10.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.88 109.319 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 291' ' ' VAL . . . . . 0.901 HG21 ' CE2' ' A' ' 300' ' ' PHE . 6.8 p -135.95 145.43 31.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 2.74 109.288 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 9.3 t -153.52 154.15 33.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 1.58 110.371 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 293' ' ' THR . . . . . 0.585 HG21 ' CB ' ' A' ' 435' ' ' SER . 11.1 t -106.5 146.41 30.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 2.57 110.358 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 294' ' ' VAL . . . . . 0.496 ' O ' HG23 ' A' ' 294' ' ' VAL . 31.5 m -132.42 76.48 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 2.78 109.316 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 95.52 -90.75 1.27 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.541 1.15 . . . . 1.62 111.031 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 296' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 296' ' ' ASN . 2.0 p-10 -134.23 16.42 3.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.78 . . . . 4.17 109.236 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.575 ' HA ' HG11 ' A' ' 310' ' ' VAL . 0.2 OUTLIER -124.08 152.52 42.61 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.499 1.125 . . . . 2.39 109.323 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 298' ' ' ILE . . . . . 0.409 HG21 ' CE1' ' A' ' 300' ' ' PHE . 9.8 mt -115.45 140.48 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 2.35 109.292 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -129.54 93.21 3.49 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.535 1.147 . . . . 2.82 110.976 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 300' ' ' PHE . . . . . 0.901 ' CE2' HG21 ' A' ' 291' ' ' VAL . 78.1 m-85 -82.58 120.41 25.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 3.26 111.004 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -104.81 155.97 18.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 2.67 110.999 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -160.24 -50.3 0.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 4.28 109.282 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 303' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 305' ' ' PHE . 1.5 t0 172.42 100.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 4.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 304' ' ' ARG . . . . . 0.465 ' HB2' ' O ' ' A' ' 303' ' ' ASP . 0.0 OUTLIER 67.37 -58.61 0.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 5.35 110.306 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 305' ' ' PHE . . . . . 0.509 ' CG ' ' HG3' ' A' ' 277' ' ' MET . 19.3 m-85 -88.29 126.08 35.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 2.85 111.051 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 306' ' ' PHE . . . . . 0.43 ' CB ' ' O ' ' A' ' 300' ' ' PHE . 6.2 p90 -124.9 136.18 53.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 2.08 111.005 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 307' ' ' TRP . . . . . 0.956 ' CZ2' HD11 ' A' ' 286' ' ' LEU . 31.7 m-90 -79.89 136.84 36.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 5.12 107.991 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.557 HD21 ' CZ ' ' A' ' 313' ' ' ARG . 4.4 tp -149.47 101.59 3.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 2.28 109.321 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 309' ' ' LYS . . . . . 0.738 ' HB2' HG22 ' A' ' 316' ' ' THR . 1.0 OUTLIER -122.62 82.9 2.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 2.65 109.286 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 310' ' ' VAL . . . . . 0.694 HG13 ' N ' ' A' ' 311' ' ' SER . 0.6 OUTLIER -151.59 -161.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 2.66 109.272 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 311' ' ' SER . . . . . 0.694 ' N ' HG13 ' A' ' 310' ' ' VAL . 0.7 OUTLIER 38.3 -148.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 5.27 109.994 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -82.6 67.3 8.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 7.52 110.291 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 313' ' ' ARG . . . . . 0.557 ' CZ ' HD21 ' A' ' 308' ' ' LEU . 6.9 mtt180 -137.77 116.3 9.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 4.85 110.294 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -25.47 11.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.504 1.791 . . . . 2.34 110.995 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.22 170.86 11.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 6.73 109.315 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 316' ' ' THR . . . . . 0.738 HG22 ' HB2' ' A' ' 309' ' ' LYS . 63.8 p -75.29 146.43 41.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 1.42 110.422 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 317' ' ' SER . . . . . 0.505 ' CB ' HD23 ' A' ' 308' ' ' LEU . 0.1 OUTLIER -80.55 151.0 29.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 2.92 110.003 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 318' ' ' VAL . . . . . 0.723 HG13 ' HA ' ' A' ' 277' ' ' MET . 40.7 t -144.13 79.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.556 1.16 . . . . 2.07 109.296 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -124.2 169.9 11.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 2.07 109.307 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.89 154.05 18.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 1.62 109.317 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 321' ' ' ILE . . . . . 0.411 HG23 ' HB2' ' A' ' 325' ' ' TRP . 1.4 mp -66.91 -64.61 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 1.42 109.314 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 19.3 m -46.2 -34.49 4.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 1.76 110.006 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 323' ' ' SER . . . . . 0.728 ' HB3' HD12 ' A' ' 324' ' ' LEU . 0.3 OUTLIER -43.02 -50.37 5.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 1.31 110.023 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 324' ' ' LEU . . . . . 0.728 HD12 ' HB3' ' A' ' 323' ' ' SER . 3.9 mp -108.98 -65.91 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 2.29 109.382 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 325' ' ' TRP . . . . . 0.457 ' HB3' ' CB ' ' A' ' 328' ' ' LEU . 0.0 OUTLIER -42.2 148.86 0.47 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 2.57 107.985 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -82.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.428 1.752 . . . . 1.2 110.982 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 327' ' ' THR . . . . . . . . . . . . . 9.2 t -110.48 5.62 21.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 1.99 110.404 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.902 HD21 HD11 ' A' ' 355' ' ' ILE . 0.5 OUTLIER -44.01 130.85 4.3 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 1.93 109.304 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 329' ' ' PRO . . . . . 0.794 ' HD2' HD13 ' A' ' 328' ' ' LEU . 18.0 Cg_endo -75.13 148.23 34.52 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.407 1.74 . . . . 2.62 110.932 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 4.5 m -104.73 155.02 19.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 2.61 110.014 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 86.07 32.51 17.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 1.27 110.985 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.718 HD12 ' HB3' ' A' ' 346' ' ' LEU . 51.7 mm -47.41 130.01 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 0.745 . . . . 2.37 109.332 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 333' ' ' GLU . . . . . 0.684 ' O ' ' HB2' ' A' ' 290' ' ' ALA . 47.2 mm-40 -85.99 -49.45 7.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.415 1.072 . . . . 2.5 110.334 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -138.61 110.37 7.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.414 1.071 . . . . 1.13 109.357 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 335' ' ' ALA . . . . . 0.511 ' HB2' HG21 ' A' ' 332' ' ' ILE . . . -102.17 126.27 49.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.83 109.271 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 336' ' ' TYR . . . . . 0.552 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 15.1 p90 -152.94 122.42 6.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 3.48 110.936 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 337' ' ' GLU . . . . . 0.42 ' CD ' ' N ' ' A' ' 338' ' ' ILE . 0.2 OUTLIER -95.62 -179.74 4.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 4.24 110.289 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 338' ' ' ILE . . . . . 0.528 ' O ' HG23 ' A' ' 338' ' ' ILE . 19.0 tt -137.53 101.23 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 3.46 109.243 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -68.17 78.83 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.406 1.066 . . . . 3.12 110.34 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -159.99 -53.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 1.86 109.32 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -112.41 4.29 17.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 3.54 110.325 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.17 70.84 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 2.75 109.3 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -134.67 179.28 6.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 2.55 110.302 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 344' ' ' VAL . . . . . 0.466 ' CG1' HD21 ' A' ' 346' ' ' LEU . 85.6 t -147.89 125.69 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.088 . . . . 1.33 109.36 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 345' ' ' PHE . . . . . 0.464 ' CB ' ' CZ ' ' A' ' 336' ' ' TYR . 61.1 m-85 -113.48 86.7 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 3.16 110.999 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 0.718 ' HB3' HD12 ' A' ' 332' ' ' ILE . 13.9 mt -81.59 148.99 28.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 2.29 109.308 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -118.85 144.54 46.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 2.69 110.971 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 348' ' ' LYS . . . . . 0.474 ' HD3' ' CB ' ' A' ' 329' ' ' PRO . 1.5 ptmt -161.45 124.04 3.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 4.96 109.308 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 53.76 -150.41 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 3.75 109.297 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 350' ' ' ASP . . . . . 0.477 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 5.5 p-10 -87.95 41.47 1.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 3.36 109.225 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.477 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 24.5 mttp -155.77 154.93 32.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 2.48 109.333 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 352' ' ' TYR . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 366' ' ' LYS . 19.7 p90 -137.42 135.63 37.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 2.8 111.011 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 353' ' ' TRP . . . . . 0.415 ' CD2' ' HG3' ' A' ' 329' ' ' PRO . 1.2 m-90 -93.64 138.65 31.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 3.87 108.02 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 354' ' ' LEU . . . . . 0.66 ' O ' HD23 ' A' ' 354' ' ' LEU . 0.0 OUTLIER -109.15 105.26 14.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 3.05 109.299 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.902 HD11 HD21 ' A' ' 328' ' ' LEU . 83.0 mt -83.22 145.93 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 2.06 109.296 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 29.3 t -137.68 103.74 5.11 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.513 1.133 . . . . 1.52 109.972 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 357' ' ' ASN . . . . . 0.7 ' O ' HD23 ' A' ' 358' ' ' LEU . 22.5 m-80 61.39 55.42 2.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 3.14 109.29 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 358' ' ' LEU . . . . . 0.7 HD23 ' O ' ' A' ' 357' ' ' ASN . 0.3 OUTLIER 57.94 35.04 24.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 2.8 109.287 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.31 106.1 7.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.599 1.187 . . . . 3.85 110.302 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 360' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 361' ' ' GLU . 18.3 Cg_endo -75.0 109.36 2.91 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.545 1.813 . . . . 1.97 110.975 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 361' ' ' GLU . . . . . 0.53 ' CG ' HD23 ' A' ' 354' ' ' LEU . 35.8 mm-40 -34.24 123.64 0.51 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 2.91 110.281 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 124.19 8.49 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.466 1.772 . . . . 2.36 111.03 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 363' ' ' ASN . . . . . 0.448 ' C ' ' HD3' ' A' ' 365' ' ' PRO . 18.8 m120 65.44 62.54 0.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 4.53 109.255 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 364' ' ' TYR . . . . . 0.58 ' CE2' ' HD3' ' A' ' 366' ' ' LYS . 0.3 OUTLIER -132.64 56.83 24.61 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 2.97 110.993 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 365' ' ' PRO . . . . . 0.535 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.5 Cg_endo -74.95 51.39 2.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 1.49 111.004 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 366' ' ' LYS . . . . . 0.58 ' HD3' ' CE2' ' A' ' 364' ' ' TYR . 0.1 OUTLIER -57.45 142.87 42.53 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.524 1.14 . . . . 1.71 109.312 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 90.2 p -118.12 129.49 55.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 1.96 109.968 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 5.7 pt -45.64 -28.05 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 1.57 109.263 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 369' ' ' HIS . . . . . 0.839 ' CE1' ' CD1' ' A' ' 373' ' ' PHE . 8.4 m80 -55.6 -18.86 8.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 5.29 109.65 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 1.6 m -60.97 -25.51 66.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 2.49 110.015 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 174.29 61.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 6.5 111.09 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 372' ' ' GLY . . . . . 0.463 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -168.31 -63.89 0.03 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.522 1.139 . . . . 2.82 110.987 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 373' ' ' PHE . . . . . 0.839 ' CD1' ' CE1' ' A' ' 369' ' ' HIS . 46.0 t80 -32.59 95.43 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.59 0.818 . . . . 5.22 110.979 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 374' ' ' PRO . . . . . 0.619 ' HD2' HG12 ' A' ' 377' ' ' VAL . 18.4 Cg_endo -75.02 -54.97 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 2.47 111.025 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 375' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 374' ' ' PRO . 7.2 m-20 160.74 45.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 5.44 109.276 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 376' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 377' ' ' VAL . 0.6 OUTLIER -178.99 -48.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 5.74 111.003 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 377' ' ' VAL . . . . . 0.619 HG12 ' HD2' ' A' ' 374' ' ' PRO . 3.3 p -40.07 153.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 2.17 109.267 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.54 -38.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 3.27 109.325 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.32 126.98 25.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 1.89 109.363 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 13.9 mt -98.78 150.64 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.88 109.317 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.55 -44.95 7.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 2.33 109.332 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 382' ' ' ALA . . . . . 0.818 ' HB2' ' HA ' ' A' ' 431' ' ' ALA . . . -161.15 161.98 31.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.75 109.323 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -151.46 127.1 10.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.64 109.232 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 384' ' ' VAL . . . . . 0.703 HG13 HG13 ' A' ' 432' ' ' VAL . 22.0 m -136.51 139.18 45.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 2.36 109.315 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -90.85 132.39 35.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 4.37 110.946 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -109.19 108.65 60.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 2.61 109.283 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.7 18.47 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.5 1.79 . . . . 1.97 111.02 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -76.44 -27.67 56.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 2.23 110.351 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -116.31 0.69 12.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 2.52 110.972 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 51.83 21.98 1.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 2.88 110.958 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.03 155.83 39.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 3.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 91.6 m -111.89 125.55 54.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.76 110.408 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 393' ' ' TYR . . . . . 0.428 ' N ' ' CD1' ' A' ' 393' ' ' TYR . 9.1 m-30 -78.83 126.98 31.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 1.63 111.018 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -111.53 107.17 16.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 2.24 110.973 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -89.03 115.49 26.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.39 1.056 . . . . 0.97 110.964 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 396' ' ' VAL . . . . . 0.462 HG21 HG23 ' A' ' 377' ' ' VAL . 42.1 t -140.19 126.35 21.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 1.79 109.338 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 1.2 t70 52.3 -152.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 3.47 109.323 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -88.08 49.66 1.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 3.53 109.291 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.39 162.94 37.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 2.74 110.365 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -129.43 105.59 8.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 2.37 110.991 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 7.4 m-90 -100.49 172.78 6.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 5.45 107.965 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 402' ' ' ARG . . . . . 0.412 ' NE ' ' CE1' ' A' ' 393' ' ' TYR . 7.7 ttm180 -154.92 126.38 7.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 3.69 110.278 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 403' ' ' TYR . . . . . 0.572 ' CE1' ' O ' ' A' ' 404' ' ' ASP . 62.2 t80 -108.98 151.43 26.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 4.98 110.983 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 404' ' ' ASP . . . . . 0.572 ' O ' ' CE1' ' A' ' 403' ' ' TYR . 0.3 OUTLIER -92.58 127.92 38.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 2.04 109.245 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -88.66 -52.86 4.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 3.27 110.295 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -60.83 -50.01 75.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.593 1.183 . . . . 8.11 110.224 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.29 -40.32 67.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 2.84 110.352 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 74.02 30.62 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 2.87 110.328 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 9.5 tpt -134.77 116.43 14.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 2.61 110.911 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 44.3 mtm -39.31 142.03 0.3 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 2.41 110.965 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.72 141.26 97.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 3.19 109.324 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 412' ' ' PRO . . . . . 0.532 ' O ' ' C ' ' A' ' 413' ' ' GLY . 18.2 Cg_endo -75.03 126.27 9.84 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.794 . . . . 3.78 110.996 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 413' ' ' GLY . . . . . 0.532 ' C ' ' O ' ' A' ' 412' ' ' PRO . . . 25.87 91.37 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.505 1.128 . . . . 3.04 110.949 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 414' ' ' TYR . . . . . 0.507 ' CE1' ' HG3' ' A' ' 416' ' ' LYS . 1.0 OUTLIER -134.22 60.12 42.01 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 2.14 111.016 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 415' ' ' PRO . . . . . 0.482 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -75.01 73.24 4.39 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.435 1.756 . . . . 1.98 111.029 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 416' ' ' LYS . . . . . 0.507 ' HG3' ' CE1' ' A' ' 414' ' ' TYR . 6.0 mmtt -98.11 173.63 6.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 2.45 109.327 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.92 163.07 27.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 2.08 109.301 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.528 HG22 HD11 ' A' ' 425' ' ' ILE . 2.8 mp -69.04 -77.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 1.05 109.315 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 419' ' ' THR . . . . . 0.428 ' HB ' ' N ' ' A' ' 427' ' ' PRO . 7.5 t -40.03 -37.9 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 1.08 110.388 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -62.78 -50.12 72.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 1.66 109.292 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 421' ' ' ASN . . . . . 0.455 ' OD1' ' CE2' ' A' ' 422' ' ' PHE . 10.3 t-20 -58.39 -46.52 86.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.095 . . . . 2.36 109.308 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 422' ' ' PHE . . . . . 0.49 ' O ' ' CD1' ' A' ' 425' ' ' ILE . 39.0 m-85 -148.06 126.02 12.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.384 1.053 . . . . 3.38 110.982 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -92.23 119.58 31.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 2.35 110.275 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 424' ' ' GLY . . . . . 0.658 ' HA3' HD11 ' A' ' 458' ' ' ILE . . . 150.2 -28.31 1.11 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.141 . . . . 1.52 111.001 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 425' ' ' ILE . . . . . 0.816 HG21 ' CD2' ' A' ' 442' ' ' PHE . 0.2 OUTLIER -96.15 -19.63 6.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 2.13 109.254 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 91.4 170.59 42.4 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.5 1.125 . . . . 0.8 111.049 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 427' ' ' PRO . . . . . 0.428 ' N ' ' HB ' ' A' ' 419' ' ' THR . 18.4 Cg_endo -74.94 -0.59 10.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 1.09 111.084 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.82 133.2 45.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 2.93 109.253 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 429' ' ' ILE . . . . . 0.664 HD11 ' CD1' ' A' ' 442' ' ' PHE . 6.7 tp -128.24 144.26 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 1.44 109.263 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 430' ' ' ASP . . . . . 0.412 ' N ' ' OD1' ' A' ' 430' ' ' ASP . 0.8 OUTLIER -93.55 -60.33 1.8 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.489 1.118 . . . . 3.16 109.279 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.818 ' HA ' ' HB2' ' A' ' 382' ' ' ALA . . . -154.73 166.05 34.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.461 1.101 . . . . 0.76 109.296 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 441' ' ' TYR . 6.6 p -158.12 143.64 8.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 2.14 109.296 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 433' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 433' ' ' PHE . 5.6 p90 -142.46 123.0 14.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.095 . . . . 2.57 110.965 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -85.88 88.87 7.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 3.67 111.04 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 435' ' ' SER . . . . . 0.585 ' CB ' HG21 ' A' ' 293' ' ' THR . 1.3 p -113.98 -14.83 12.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 2.31 109.918 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 436' ' ' LYS . . . . . 0.483 ' HD3' ' CE1' ' A' ' 441' ' ' TYR . 0.2 OUTLIER -73.27 -167.12 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 4.03 109.314 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -97.97 -50.68 4.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 4.23 109.296 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 438' ' ' LYS . . . . . 0.502 ' CE ' ' HA ' ' A' ' 438' ' ' LYS . 0.0 OUTLIER -145.78 50.2 1.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 3.3 109.356 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -143.33 162.49 35.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 2.65 111.016 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -125.27 109.96 13.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 3.54 110.977 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 441' ' ' TYR . . . . . 0.844 ' O ' HG23 ' A' ' 432' ' ' VAL . 3.2 m-85 -89.52 125.1 35.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.423 1.077 . . . . 2.51 110.988 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 442' ' ' PHE . . . . . 0.816 ' CD2' HG21 ' A' ' 425' ' ' ILE . 12.0 m-85 -125.23 146.98 49.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 3.37 111.054 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 443' ' ' PHE . . . . . 0.562 ' CZ ' ' HG3' ' A' ' 448' ' ' GLN . 0.2 OUTLIER -123.68 118.73 27.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 3.99 111.025 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 444' ' ' GLN . . . . . 0.531 ' OE1' HD12 ' A' ' 429' ' ' ILE . 1.1 pm0 -145.96 91.03 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 6.23 110.267 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 445' ' ' GLY . . . . . 0.458 ' O ' ' ND2' ' A' ' 447' ' ' ASN . . . 81.29 67.3 1.54 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.47 1.106 . . . . 3.9 110.976 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 96.8 p 42.24 30.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.75 . . . . 1.75 110.009 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 447' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 445' ' ' GLY . 78.8 m-20 -123.2 119.1 29.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 2.3 109.308 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 448' ' ' GLN . . . . . 0.589 ' NE2' ' CD2' ' A' ' 441' ' ' TYR . 0.0 OUTLIER -106.44 100.28 9.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 3.51 110.259 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 449' ' ' PHE . . . . . 0.464 ' HD2' HG21 ' A' ' 458' ' ' ILE . 11.2 m-85 -107.7 146.86 31.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 2.78 110.99 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.44 143.08 48.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 4.08 110.303 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 451' ' ' TYR . . . . . 0.469 ' CE2' ' HB3' ' A' ' 422' ' ' PHE . 3.3 t80 -117.45 123.37 46.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 3.13 110.99 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -103.7 111.64 24.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.148 . . . . 3.15 109.323 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -63.51 -12.26 30.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 3.62 111.025 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 454' ' ' LEU . . . . . 0.637 HD23 ' CD2' ' A' ' 455' ' ' LEU . 11.2 tp -54.96 -32.68 61.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 2.25 109.27 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.637 ' CD2' HD23 ' A' ' 454' ' ' LEU . 0.7 OUTLIER -173.55 37.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 2.14 109.209 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 456' ' ' GLN . . . . . 0.457 ' HA ' ' CE1' ' A' ' 451' ' ' TYR . 5.0 pm0 36.66 64.69 0.54 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 4.84 110.283 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -127.02 125.58 41.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 3.26 110.269 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 458' ' ' ILE . . . . . 0.658 HD11 ' HA3' ' A' ' 424' ' ' GLY . 54.0 mt -90.69 106.4 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 1.67 109.337 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 58.3 p -113.01 36.87 3.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.406 1.066 . . . . 2.55 110.467 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -156.66 116.63 3.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 3.7 109.288 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 23.2 p -149.48 87.11 1.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 2.23 110.389 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 462' ' ' LEU . . . . . 0.622 HD12 ' CB ' ' A' ' 466' ' ' SER . 1.1 pt? -121.78 177.34 5.31 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.538 1.149 . . . . 1.99 109.296 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 463' ' ' LYS . . . . . 0.449 ' O ' ' CB ' ' A' ' 466' ' ' SER . 0.0 OUTLIER -111.6 155.71 22.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 2.82 109.299 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.04 -52.68 2.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 2.13 110.012 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -76.95 55.94 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.594 1.184 . . . . 3.52 109.257 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 466' ' ' SER . . . . . 0.622 ' CB ' HD12 ' A' ' 462' ' ' LEU . 49.6 m -133.5 52.65 2.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 3.27 110.049 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 467' ' ' TRP . . . . . 0.449 ' CD1' ' O ' ' A' ' 466' ' ' SER . 0.1 OUTLIER -175.08 -42.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 5.65 108.043 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 468' ' ' PHE . . . . . 0.5 ' CE2' ' HB3' ' A' ' 281' ' ' LEU . 2.2 t80 -67.13 -39.85 86.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.531 1.145 . . . . 7.24 111.025 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 93.9 80.33 1.48 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.513 1.133 . . . . 2.39 110.988 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 470' ' ' CYS . . . . . 1.081 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 1.5 t . . . . . 0 C--N 1.325 -0.497 0 N-CA-C 108.326 -0.99 . . . . 6.97 108.326 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 471' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 277' ' ' MET . . . . . 0.483 ' HA ' HG11 ' A' ' 318' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.558 0.218 . . . . 10.02 111.048 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 278' ' ' GLU . . . . . 0.528 ' N ' ' CD ' ' A' ' 279' ' ' PRO . 4.9 mt-10 -39.9 -50.06 5.76 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 9.0 110.273 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 279' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 278' ' ' GLU . 18.4 Cg_endo -74.97 124.69 8.82 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.503 1.791 . . . . 4.22 110.991 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 280' ' ' ALA . . . . . . . . . . . . . . . -90.63 167.6 12.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 3.69 109.316 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 281' ' ' LEU . . . . . 1.116 HD11 ' CZ3' ' A' ' 307' ' ' TRP . 0.0 OUTLIER -111.14 23.45 14.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 3.5 109.294 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 282' ' ' CYS . . . . . . . . . . . . . 10.2 t -115.38 32.7 5.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 2.91 108.221 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 283' ' ' ASP . . . . . 0.412 ' HB3' ' OD1' ' A' ' 285' ' ' ASN . 3.9 m-20 -165.84 145.33 5.25 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 3.34 109.271 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 81.62 2.17 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 1.98 111.009 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 285' ' ' ASN . . . . . 0.412 ' OD1' ' HB3' ' A' ' 283' ' ' ASP . 0.2 OUTLIER -173.67 41.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 2.79 109.343 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 286' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 281' ' ' LEU . 0.4 OUTLIER -118.92 154.59 32.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.446 1.092 . . . . 2.7 109.307 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 287' ' ' SER . . . . . 0.45 ' H ' HD23 ' A' ' 286' ' ' LEU . 59.0 p -145.71 167.57 22.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 1.43 110.036 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -130.04 173.05 11.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 3.07 111.031 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.34 -49.83 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 2.92 109.278 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 290' ' ' ALA . . . . . 0.539 ' HA ' ' HB2' ' A' ' 431' ' ' ALA . . . -138.1 152.6 48.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.89 109.342 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 291' ' ' VAL . . . . . 0.485 HG23 ' HB3' ' A' ' 431' ' ' ALA . 55.8 t -141.05 159.78 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 2.2 109.326 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 292' ' ' THR . . . . . 0.425 ' CG2' ' N ' ' A' ' 293' ' ' THR . 0.8 OUTLIER -152.89 164.45 37.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 1.75 110.397 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 293' ' ' THR . . . . . 0.425 ' N ' ' CG2' ' A' ' 292' ' ' THR . 11.6 t -137.84 144.44 41.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 2.21 110.415 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 294' ' ' VAL . . . . . 0.701 HG22 ' CD ' ' A' ' 337' ' ' GLU . 70.0 t -144.7 67.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 2.16 109.273 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 93.94 -108.96 3.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.132 . . . . 2.83 111.004 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -109.83 12.91 23.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 0.756 . . . . 3.05 109.279 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.872 ' HA ' HG21 ' A' ' 310' ' ' VAL . 7.1 mtmm -107.88 152.35 24.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 2.8 109.348 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 2.5 pt -133.22 132.44 58.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 2.21 109.278 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 299' ' ' PHE . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 301' ' ' PHE . 52.9 m-85 -114.18 150.96 33.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 2.71 111.001 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 300' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -142.54 132.79 24.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 2.55 110.969 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 301' ' ' PHE . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 299' ' ' PHE . 0.1 OUTLIER -134.48 171.63 14.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 2.84 110.949 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 302' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 303' ' ' ASP . 3.9 tptp -145.59 -113.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 4.77 109.286 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 303' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 302' ' ' LYS . 71.2 m-20 -77.62 -79.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 2.93 109.258 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.64 -24.59 6.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.078 . . . . 3.94 110.286 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 305' ' ' PHE . . . . . 0.569 ' CE1' HD12 ' A' ' 320' ' ' LEU . 74.3 m-85 -94.71 147.9 22.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 2.77 111.05 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 306' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' A' ' 318' ' ' VAL . 6.1 p90 -128.3 143.84 51.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 1.61 111.027 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 307' ' ' TRP . . . . . 1.116 ' CZ3' HD11 ' A' ' 281' ' ' LEU . 52.1 m95 -106.66 149.07 27.61 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.013 -1.106 . . . . 4.77 108.013 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 46.2 tp -143.62 130.81 20.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.172 . . . . 2.66 109.298 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 309' ' ' LYS . . . . . 0.52 ' HD3' HG22 ' A' ' 316' ' ' THR . 22.4 tptp -152.3 102.36 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 2.03 109.234 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 310' ' ' VAL . . . . . 0.872 HG21 ' HA ' ' A' ' 297' ' ' LYS . 3.8 p -176.81 -178.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.484 1.115 . . . . 2.25 109.353 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 311' ' ' SER . . . . . 0.712 ' H ' HG22 ' A' ' 310' ' ' VAL . 14.3 t 45.81 87.56 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.528 1.142 . . . . 4.32 109.96 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 312' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 311' ' ' SER . 4.6 tt0 32.33 77.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.562 1.163 . . . . 4.84 110.318 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -116.75 128.63 25.88 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 4.36 110.286 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -34.4 3.84 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.559 1.82 . . . . 1.88 110.995 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.1 172.49 18.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 4.43 109.301 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 316' ' ' THR . . . . . 0.86 ' OG1' HD13 ' A' ' 281' ' ' LEU . 70.0 p -81.24 172.24 13.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.129 . . . . 1.17 110.42 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.36 137.08 15.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 2.18 109.999 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 318' ' ' VAL . . . . . 0.58 ' HB ' ' CE3' ' A' ' 307' ' ' TRP . 7.2 p -121.02 120.03 61.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 3.55 109.276 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -133.05 179.2 6.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 3.53 109.299 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.569 HD12 ' CE1' ' A' ' 305' ' ' PHE . 0.3 OUTLIER -86.87 149.14 25.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 1.86 109.311 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 321' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 324' ' ' LEU . 11.0 mt -64.44 -63.17 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 1.47 109.318 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 14.4 m -45.26 -37.71 4.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 1.71 109.974 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.03 -37.98 69.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.67 109.989 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 324' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 321' ' ' ILE . 7.8 tp -93.1 -74.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 3.94 109.268 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.63 159.62 83.0 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 1.66 107.978 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -79.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.406 1.74 . . . . 1.27 111.01 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 327' ' ' THR . . . . . 0.693 ' O ' HD22 ' A' ' 328' ' ' LEU . 0.1 OUTLIER -123.33 94.21 4.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 1.79 110.475 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.693 HD22 ' O ' ' A' ' 327' ' ' THR . 1.5 mm? -126.58 154.19 75.39 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 1.18 109.311 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 329' ' ' PRO . . . . . 0.426 ' HD2' HD13 ' A' ' 328' ' ' LEU . 18.5 Cg_endo -74.9 130.04 13.0 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.521 1.8 . . . . 1.95 110.994 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 1.3 m -85.27 138.85 32.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 2.42 110.021 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 93.27 41.93 4.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.145 . . . . 1.38 111.012 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 21.4 mt -49.2 129.69 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 1.83 109.321 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.27 -29.55 11.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 3.1 110.292 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -158.72 125.72 4.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.86 109.29 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -121.89 126.92 49.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.82 109.279 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 336' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -131.05 101.79 5.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 3.98 110.984 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 337' ' ' GLU . . . . . 0.701 ' CD ' HG22 ' A' ' 294' ' ' VAL . 0.1 OUTLIER -105.05 135.34 46.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 3.87 110.322 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 338' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 338' ' ' ILE . 6.8 tp -118.24 132.02 69.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 4.13 109.35 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -96.78 17.52 16.44 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.566 1.166 . . . . 3.56 110.322 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -77.98 -52.78 8.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.591 1.182 . . . . 1.65 109.275 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 341' ' ' ARG . . . . . 0.431 ' CG ' ' HG2' ' A' ' 343' ' ' GLN . 0.6 OUTLIER -105.88 0.38 25.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 3.59 110.291 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 35.2 t30 68.25 51.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 2.01 109.28 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 343' ' ' GLN . . . . . 0.431 ' HG2' ' CG ' ' A' ' 341' ' ' ARG . 1.3 pt20 -119.67 168.21 11.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.123 . . . . 4.23 110.271 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 344' ' ' VAL . . . . . . . . . . . . . 15.7 t -138.96 130.68 36.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.516 1.135 . . . . 1.62 109.331 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 345' ' ' PHE . . . . . 0.415 ' CZ ' ' HB2' ' A' ' 347' ' ' PHE . 23.5 t80 -123.77 130.21 52.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 5.94 111.014 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' A' ' 346' ' ' LEU . 3.2 mm? -125.39 110.18 13.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 1.4 109.299 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 347' ' ' PHE . . . . . 0.415 ' HB2' ' CZ ' ' A' ' 345' ' ' PHE . 3.3 t80 -90.51 145.11 25.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 6.11 111.047 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 348' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.6 OUTLIER -161.05 114.9 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 4.4 109.29 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 61.13 -144.77 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 3.75 109.279 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 350' ' ' ASP . . . . . 0.479 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 19.1 p-10 -89.2 36.45 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 2.98 109.258 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 4.7 mtmt -156.09 154.02 30.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 1.66 109.262 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 352' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 366' ' ' LYS . 5.5 p90 -145.55 133.8 21.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 2.56 111.026 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 -91.66 164.15 13.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 3.7 108.072 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 354' ' ' LEU . . . . . 0.751 HD13 ' C ' ' A' ' 354' ' ' LEU . 1.7 tm? -127.4 111.39 13.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 2.86 109.266 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.564 HD11 HD11 ' A' ' 328' ' ' LEU . 1.9 mp -91.3 110.83 22.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.165 . . . . 1.38 109.279 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 356' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' A' ' 357' ' ' ASN . 52.3 p -99.17 104.16 16.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 2.98 109.969 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 357' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 356' ' ' SER . 12.1 m-20 78.11 -56.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 3.13 109.252 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 358' ' ' LEU . . . . . 0.773 HD23 ' HG2' ' A' ' 359' ' ' ARG . 0.1 OUTLIER -162.77 -49.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 4.91 109.26 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 359' ' ' ARG . . . . . 0.773 ' HG2' HD23 ' A' ' 358' ' ' LEU . 0.0 OUTLIER -88.61 120.08 70.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 4.44 110.261 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 360' ' ' PRO . . . . . 0.448 ' HG3' HD21 ' A' ' 328' ' ' LEU . 18.4 Cg_endo -75.02 144.81 30.61 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.522 1.801 . . . . 1.4 111.042 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -49.94 128.96 21.65 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 3.12 110.27 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 139.72 24.48 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.556 1.819 . . . . 2.07 111.001 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 363' ' ' ASN . . . . . 0.426 ' C ' ' HD3' ' A' ' 365' ' ' PRO . 2.6 m-80 61.06 62.33 1.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 4.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 364' ' ' TYR . . . . . 0.589 ' CE2' ' HD3' ' A' ' 366' ' ' LYS . 0.4 OUTLIER -134.46 55.76 15.76 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 3.11 111.003 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 365' ' ' PRO . . . . . 0.551 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -75.03 46.82 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.528 1.804 . . . . 1.18 110.979 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 366' ' ' LYS . . . . . 0.589 ' HD3' ' CE2' ' A' ' 364' ' ' TYR . 0.1 OUTLIER -49.04 151.45 1.29 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 1.86 109.332 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 367' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 350' ' ' ASP . 0.7 OUTLIER -130.67 125.93 35.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 2.48 109.979 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 368' ' ' ILE . . . . . 0.442 HG23 ' CD1' ' A' ' 352' ' ' TYR . 3.7 pt -60.3 -32.36 50.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.56 1.163 . . . . 1.61 109.293 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -21.4 64.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 2.96 109.612 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.21 -8.71 41.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 2.36 110.036 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 175.48 58.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 6.36 110.997 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 372' ' ' GLY . . . . . 0.485 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -165.49 -66.19 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.429 1.08 . . . . 2.8 111.023 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 373' ' ' PHE . . . . . 0.574 ' CZ ' ' O ' ' A' ' 375' ' ' ASN . 62.0 t80 -30.96 94.49 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 4.67 111.047 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 374' ' ' PRO . . . . . 0.466 ' N ' ' O ' ' A' ' 372' ' ' GLY . 18.4 Cg_endo -74.99 -61.86 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.527 1.804 . . . . 2.8 111.038 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 375' ' ' ASN . . . . . 0.574 ' O ' ' CZ ' ' A' ' 373' ' ' PHE . 44.3 t-20 -119.74 -70.81 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 4.88 109.297 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -145.84 66.21 1.21 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 5.39 110.995 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 377' ' ' VAL . . . . . . . . . . . . . 71.1 t -112.3 155.29 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 2.59 109.297 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.9 -36.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 2.84 109.316 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -116.48 120.34 38.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 1.78 109.35 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 30.3 mt -105.43 158.35 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 1.23 109.278 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 381' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 430' ' ' ASP . 0.5 OUTLIER -96.21 -45.01 7.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 2.13 109.272 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 382' ' ' ALA . . . . . 0.589 ' HB2' ' HA ' ' A' ' 431' ' ' ALA . . . -156.75 166.9 32.06 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.547 1.154 . . . . 0.63 109.336 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -157.63 126.35 5.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.67 109.262 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 27.5 m -138.86 150.7 23.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.533 1.146 . . . . 2.44 109.308 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -100.38 155.72 17.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 1.94 111.046 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 386' ' ' ASN . . . . . 0.457 ' ND2' ' CE1' ' A' ' 393' ' ' TYR . 5.8 m-20 -135.55 113.42 11.05 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 3.07 109.276 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 387' ' ' PRO . . . . . 0.457 ' HD3' ' CE2' ' A' ' 434' ' ' TYR . 18.3 Cg_endo -75.08 -12.54 21.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.452 1.764 . . . . 2.08 110.979 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.46 -34.0 31.69 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.492 1.12 . . . . 2.18 110.287 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -110.55 0.03 17.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 3.12 110.929 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 50.04 30.68 4.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 2.82 111.02 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 21.8 mtt180 -135.77 158.94 43.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 3.82 110.317 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 28.3 m -106.02 124.19 49.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.96 110.419 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 393' ' ' TYR . . . . . 0.457 ' CE1' ' ND2' ' A' ' 386' ' ' ASN . 5.7 m-85 -82.18 122.19 27.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 2.0 110.939 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -112.66 116.48 30.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 2.19 111.06 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 395' ' ' PHE . . . . . 0.651 ' HE2' HG11 ' A' ' 432' ' ' VAL . 21.3 m-85 -97.24 115.16 27.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.432 1.083 . . . . 1.38 110.96 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 98.7 t -135.79 123.66 36.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 1.58 109.287 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 54.58 -151.95 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.431 1.082 . . . . 3.18 109.262 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 398' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 398' ' ' ASN . 7.2 p30 -88.62 42.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 3.33 109.324 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 399' ' ' GLN . . . . . 0.466 ' O ' HD11 ' A' ' 418' ' ' ILE . 2.3 mt-30 -141.62 163.14 33.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 2.51 110.26 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -127.3 113.19 15.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 2.24 111.011 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -109.49 155.63 21.1 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.043 -1.095 . . . . 5.52 108.043 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 -143.25 130.51 20.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 3.07 110.275 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 403' ' ' TYR . . . . . 0.459 ' CD1' ' HB2' ' A' ' 410' ' ' MET . 19.8 m-30 -113.37 157.6 21.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 8.21 110.992 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.23 121.08 31.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 2.96 109.271 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.63 -56.25 3.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 2.48 110.346 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 4.0 ppt_? -59.97 -35.24 74.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 6.36 110.292 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -87.96 -38.44 15.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 3.18 110.253 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 77.05 40.12 0.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 2.33 110.391 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 11.0 tpp -138.05 92.21 2.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 2.65 110.949 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 410' ' ' MET . . . . . 0.459 ' HB2' ' CD1' ' A' ' 403' ' ' TYR . 0.0 OUTLIER -53.98 136.09 41.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 1.98 110.954 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.69 113.36 55.4 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 3.22 109.335 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -55.19 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.541 1.811 . . . . 3.96 110.942 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . -75.8 65.81 2.5 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.438 1.086 . . . . 2.61 111.021 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 414' ' ' TYR . . . . . 0.427 ' N ' ' HD3' ' A' ' 415' ' ' PRO . 37.2 t80 -135.29 62.42 50.57 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 3.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 415' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.4 Cg_endo -74.99 106.13 2.22 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 2.47 110.993 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -135.86 -179.19 5.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.565 1.166 . . . . 2.47 109.297 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 417' ' ' LEU . . . . . 0.456 HD13 ' HD2' ' A' ' 420' ' ' LYS . 0.1 OUTLIER -131.97 145.99 51.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.136 . . . . 1.88 109.335 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.565 HD12 ' O ' ' A' ' 427' ' ' PRO . 3.5 mt -70.65 -48.84 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 1.28 109.284 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 419' ' ' THR . . . . . 0.425 HG22 HD23 ' A' ' 417' ' ' LEU . 1.4 t -67.1 -35.96 80.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 1.44 110.414 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 420' ' ' LYS . . . . . 0.456 ' HD2' HD13 ' A' ' 417' ' ' LEU . 47.1 mttt -66.18 -62.73 1.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 2.15 109.283 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -51.81 -50.12 61.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 2.27 109.354 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 422' ' ' PHE . . . . . 0.4 ' HD1' ' CE1' ' A' ' 451' ' ' TYR . 61.7 m-85 -123.76 98.82 5.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 2.45 111.019 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -86.78 110.65 20.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 3.5 110.291 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 149.75 -29.88 1.14 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 1.49 111.024 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 425' ' ' ILE . . . . . 0.688 HG21 ' CG ' ' A' ' 442' ' ' PHE . 14.2 pt -88.37 -34.27 6.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.531 0.783 . . . . 2.41 109.304 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 115.06 -179.72 18.36 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.468 1.105 . . . . 0.92 110.987 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 427' ' ' PRO . . . . . 0.565 ' O ' HD12 ' A' ' 418' ' ' ILE . 18.2 Cg_endo -74.97 -34.55 3.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.529 1.805 . . . . 1.57 111.042 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.31 147.2 40.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 3.17 109.335 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 429' ' ' ILE . . . . . 0.526 HG21 ' CD2' ' A' ' 395' ' ' PHE . 5.1 tp -139.42 107.82 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 2.07 109.307 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 430' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 381' ' ' ASP . 8.7 m-20 -44.95 -67.4 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 2.23 109.326 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.589 ' HA ' ' HB2' ' A' ' 382' ' ' ALA . . . -146.79 163.3 36.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 1.03 109.297 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.651 HG11 ' HE2' ' A' ' 395' ' ' PHE . 2.3 p -160.11 149.77 6.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.137 . . . . 1.98 109.235 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 433' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 441' ' ' TYR . 1.9 p90 -138.11 146.41 42.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 3.51 111.005 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 434' ' ' TYR . . . . . 0.457 ' CE2' ' HD3' ' A' ' 387' ' ' PRO . 4.2 t80 -105.15 98.12 7.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 3.41 110.949 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.69 -166.62 2.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 3.86 110.03 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 436' ' ' LYS . . . . . 0.419 ' HG3' ' CE1' ' A' ' 441' ' ' TYR . 30.6 mmtm 75.64 -141.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 6.57 109.341 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 437' ' ' ASN . . . . . 0.457 ' O ' ' CD2' ' A' ' 439' ' ' TYR . 8.2 m120 -112.94 98.83 7.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 5.47 109.363 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 438' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 437' ' ' ASN . 1.3 tppp? 38.83 41.09 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 3.39 109.295 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 439' ' ' TYR . . . . . 0.457 ' CD2' ' O ' ' A' ' 437' ' ' ASN . 8.0 m-85 -124.71 142.66 51.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 3.11 110.953 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 440' ' ' TYR . . . . . 0.445 ' HB3' ' CE1' ' A' ' 442' ' ' PHE . 44.6 m-85 -115.15 119.26 35.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.179 . . . . 3.05 110.947 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 441' ' ' TYR . . . . . 0.578 ' HB2' ' CE2' ' A' ' 433' ' ' PHE . 7.5 m-85 -98.41 117.11 32.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 2.8 110.983 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 442' ' ' PHE . . . . . 0.688 ' CG ' HG21 ' A' ' 425' ' ' ILE . 90.5 m-85 -110.53 130.14 55.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 3.59 110.97 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 443' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -109.63 110.79 21.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 4.99 110.986 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -133.88 69.04 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 3.18 110.285 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 116.37 -111.95 2.47 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.505 1.128 . . . . 2.32 110.963 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 81.8 p -126.58 39.36 3.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 1.93 109.95 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -150.76 143.0 24.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 2.56 109.326 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 448' ' ' GLN . . . . . 0.441 ' CG ' ' HB3' ' A' ' 462' ' ' LEU . 12.6 pt20 -123.77 105.52 9.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 3.46 110.316 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 449' ' ' PHE . . . . . 0.623 ' HD1' HG21 ' A' ' 458' ' ' ILE . 55.5 m-85 -83.56 151.88 25.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 2.61 111.021 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 0.481 ' OE1' ' CZ ' ' A' ' 441' ' ' TYR . 2.5 tt0 -113.97 92.12 3.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 4.11 110.322 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 451' ' ' TYR . . . . . 0.493 ' CD2' HG13 ' A' ' 458' ' ' ILE . 1.1 t80 -83.19 114.24 21.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 3.19 111.034 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.71 139.54 37.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 3.74 109.307 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -72.08 -8.5 54.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.584 1.178 . . . . 3.82 111.035 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 20.1 tp -45.1 -37.17 4.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 2.36 109.249 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -169.56 37.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.155 . . . . 2.24 109.325 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 39.26 57.47 2.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 4.28 110.318 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.77 138.6 27.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 4.29 110.272 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 458' ' ' ILE . . . . . 0.623 HG21 ' HD1' ' A' ' 449' ' ' PHE . 21.0 mt -81.7 110.63 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.581 1.176 . . . . 1.99 109.294 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 15.1 t -95.69 -32.08 12.93 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.47 1.107 . . . . 2.98 110.389 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.02 141.63 47.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 2.93 109.219 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 461' ' ' THR . . . . . 0.534 HG23 ' CD1' ' A' ' 449' ' ' PHE . 96.3 m -144.88 105.14 4.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 2.54 110.39 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 462' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 466' ' ' SER . 32.7 tp -100.53 160.93 13.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 3.42 109.263 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 463' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 466' ' ' SER . 0.0 OUTLIER -107.47 131.29 54.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 4.22 109.302 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 464' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 463' ' ' LYS . 37.1 p -35.96 -38.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 2.68 110.059 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -101.73 56.06 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 2.82 109.266 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 466' ' ' SER . . . . . 0.47 ' HB3' ' CD1' ' A' ' 462' ' ' LEU . 1.9 t -146.97 61.55 1.19 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 3.05 109.985 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -171.57 -42.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 4.99 107.996 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 468' ' ' PHE . . . . . 0.507 ' CD1' ' N ' ' A' ' 468' ' ' PHE . 1.2 m-30 -72.34 -24.55 61.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 6.15 110.958 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 98.5 57.29 1.0 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 2.57 111.068 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 N-CA-C 108.296 -1.002 . . . . 3.27 108.296 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 471' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 277' ' ' MET . . . . . 0.471 ' HB2' HG11 ' A' ' 318' ' ' VAL . 36.5 mmt . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.482 0.182 . . . . 8.19 110.982 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 39.68 80.3 0.28 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 9.03 110.332 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 279' ' ' PRO . . . . . 0.412 ' O ' ' HB2' ' A' ' 280' ' ' ALA . 18.4 Cg_endo -74.98 -58.73 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.446 1.761 . . . . 4.68 110.996 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 280' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 279' ' ' PRO . . . -179.9 -37.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.098 . . . . 5.77 109.38 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 281' ' ' LEU . . . . . 0.964 HD11 ' OG1' ' A' ' 316' ' ' THR . 0.2 OUTLIER 52.55 22.98 2.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 4.16 109.302 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 282' ' ' CYS . . . . . 1.058 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 3.8 t -173.65 44.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 4.2 108.306 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.03 134.41 1.16 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 4.41 109.282 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 284' ' ' PRO . . . . . 0.457 ' HB3' ' CB ' ' A' ' 463' ' ' LYS . 18.2 Cg_endo -75.01 69.68 5.5 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.494 1.786 . . . . 2.38 110.987 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -132.81 19.96 4.18 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.516 1.135 . . . . 4.3 109.297 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 4.4 tp -109.46 164.53 12.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 2.71 109.281 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 14.4 p -144.12 178.29 7.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 1.96 109.996 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 288' ' ' PHE . . . . . 0.752 ' CE2' ' CD1' ' A' ' 300' ' ' PHE . 19.8 m-85 -140.19 171.59 13.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 2.72 110.982 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -141.89 -51.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 3.4 109.289 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -147.61 130.1 15.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 1.01 109.285 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 291' ' ' VAL . . . . . 0.658 HG12 ' HB1' ' A' ' 431' ' ' ALA . 1.9 p -141.89 145.73 23.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 2.49 109.289 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 292' ' ' THR . . . . . 0.702 ' HB ' ' HB3' ' A' ' 335' ' ' ALA . 9.1 t -147.98 126.9 12.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 1.52 110.344 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 293' ' ' THR . . . . . 0.449 HG21 ' O ' ' A' ' 434' ' ' TYR . 12.7 t -90.57 155.65 18.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 2.07 110.418 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 294' ' ' VAL . . . . . 0.641 ' O ' HG23 ' A' ' 294' ' ' VAL . 28.6 m -145.84 82.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 3.49 109.33 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 295' ' ' GLY . . . . . 0.431 ' CA ' ' OE1' ' A' ' 339' ' ' GLU . . . 85.97 -106.71 3.08 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.51 1.131 . . . . 2.15 110.996 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -113.28 3.72 16.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 0.776 . . . . 3.62 109.289 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.514 ' HA ' HG11 ' A' ' 310' ' ' VAL . 1.8 mtpp -112.53 131.34 55.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 2.65 109.286 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 298' ' ' ILE . . . . . 0.655 HD12 ' HB ' ' A' ' 310' ' ' VAL . 1.3 mt -107.88 126.1 64.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 2.47 109.257 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -103.98 87.66 2.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 2.77 110.99 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 300' ' ' PHE . . . . . 0.752 ' CD1' ' CE2' ' A' ' 288' ' ' PHE . 0.4 OUTLIER -86.44 128.13 34.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 6.42 111.042 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 301' ' ' PHE . . . . . 0.415 ' N ' ' CD1' ' A' ' 300' ' ' PHE . 94.9 m-85 -113.17 151.58 30.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 2.47 110.996 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 302' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 305' ' ' PHE . 24.4 tptp -144.78 89.99 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 3.39 109.288 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 303' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 331' ' ' GLY . 3.0 m-20 63.76 -85.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 3.33 109.289 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 304' ' ' ARG . . . . . 0.443 ' O ' HD12 ' A' ' 321' ' ' ILE . 0.0 OUTLIER -120.78 -28.6 4.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.393 1.058 . . . . 4.52 110.315 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 305' ' ' PHE . . . . . 0.506 ' HB3' ' CH2' ' A' ' 307' ' ' TRP . 65.5 m-85 -93.52 149.32 21.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 3.27 110.935 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 306' ' ' PHE . . . . . 0.545 ' CD1' ' C ' ' A' ' 306' ' ' PHE . 2.1 p90 -135.62 160.82 37.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 1.58 110.988 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 307' ' ' TRP . . . . . 0.624 ' CD1' ' O ' ' A' ' 317' ' ' SER . 8.5 m-90 -137.59 127.55 25.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 4.46 107.983 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 298' ' ' ILE . 0.2 OUTLIER -124.51 125.74 44.71 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.502 1.126 . . . . 3.04 109.297 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 309' ' ' LYS . . . . . 0.78 ' HG2' HG22 ' A' ' 316' ' ' THR . 0.0 OUTLIER -170.19 136.52 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 4.23 109.306 179.896 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 310' ' ' VAL . . . . . 0.734 HG13 ' H ' ' A' ' 311' ' ' SER . 0.8 OUTLIER -176.98 -77.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.157 . . . . 3.3 109.272 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 311' ' ' SER . . . . . 0.734 ' H ' HG13 ' A' ' 310' ' ' VAL . 9.4 t -29.07 -90.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 4.0 110.048 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -114.43 -29.58 6.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 5.25 110.261 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 45.5 mtt85 -39.06 101.08 0.22 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 4.89 110.335 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 -24.33 13.17 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.507 1.793 . . . . 3.06 111.062 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -125.35 146.92 49.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 3.36 109.309 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 316' ' ' THR . . . . . 0.964 ' OG1' HD11 ' A' ' 281' ' ' LEU . 76.2 p -74.73 137.56 42.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.12 . . . . 1.39 110.374 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 317' ' ' SER . . . . . 0.624 ' O ' ' CD1' ' A' ' 307' ' ' TRP . 4.9 t -81.2 161.96 23.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 2.3 110.025 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 318' ' ' VAL . . . . . 0.615 HG22 ' HE1' ' A' ' 307' ' ' TRP . 6.7 t -131.91 109.78 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 3.09 109.313 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -153.21 176.58 11.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 2.27 109.309 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -109.12 157.24 18.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 1.71 109.308 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 321' ' ' ILE . . . . . 0.443 HD12 ' O ' ' A' ' 304' ' ' ARG . 5.3 mt -60.38 -71.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 1.19 109.334 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 16.0 m -41.36 -48.57 3.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 1.94 110.017 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 1.1 m -39.77 -36.64 0.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 1.86 110.014 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.97 -87.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 2.02 109.259 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -43.1 153.23 0.35 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 1.78 108.04 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 326' ' ' PRO . . . . . 0.4 ' HG2' ' CD ' ' A' ' 360' ' ' PRO . 18.2 Cg_endo -75.04 -69.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 1.05 110.954 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 327' ' ' THR . . . . . 0.788 ' O ' HD22 ' A' ' 328' ' ' LEU . 0.5 OUTLIER -128.57 96.67 4.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 1.48 110.391 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.788 HD22 ' O ' ' A' ' 327' ' ' THR . 1.9 mm? -133.72 140.36 36.42 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 1.25 109.327 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 329' ' ' PRO . . . . . 0.659 ' HD2' HD13 ' A' ' 328' ' ' LEU . 18.3 Cg_endo -74.93 118.16 5.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.483 1.781 . . . . 2.02 110.979 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 2.6 p -67.86 147.8 52.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 2.47 109.948 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 331' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 303' ' ' ASP . . . 75.53 50.95 7.63 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.464 1.102 . . . . 1.32 111.035 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 8.7 mt -50.9 136.63 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 0.723 . . . . 1.62 109.321 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -79.69 -33.01 41.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 2.74 110.312 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -177.6 143.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 1.07 109.298 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 335' ' ' ALA . . . . . 0.702 ' HB3' ' HB ' ' A' ' 292' ' ' THR . . . -114.99 126.42 54.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 1.56 109.304 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 336' ' ' TYR . . . . . 0.595 ' C ' ' CD1' ' A' ' 336' ' ' TYR . 0.0 OUTLIER -139.95 103.4 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 3.54 110.967 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 337' ' ' GLU . . . . . 0.681 ' CB ' ' HA ' ' A' ' 344' ' ' VAL . 1.2 mm-40 -160.58 -176.04 5.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 7.93 110.263 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 338' ' ' ILE . . . . . 0.596 HD11 ' HD2' ' A' ' 385' ' ' PHE . 3.6 mm -133.99 162.33 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 4.93 109.327 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 339' ' ' GLU . . . . . 0.473 ' N ' ' CG2' ' A' ' 338' ' ' ILE . 10.0 pt-20 -89.06 -36.2 15.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 4.72 110.326 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -48.08 -27.04 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 3.03 109.29 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -95.13 -23.95 17.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 4.9 110.313 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 342' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 339' ' ' GLU . 5.0 t30 70.2 39.43 1.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 3.24 109.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -145.31 144.37 30.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 2.84 110.331 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 344' ' ' VAL . . . . . 0.681 ' HA ' ' CB ' ' A' ' 337' ' ' GLU . 74.0 t -127.41 124.13 63.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 2.07 109.283 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 345' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -98.54 103.27 15.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.386 1.054 . . . . 3.32 111.03 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 0.428 HD23 HD11 ' A' ' 328' ' ' LEU . 2.5 mm? -87.41 135.8 33.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.585 1.178 . . . . 1.66 109.274 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -105.3 148.11 27.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 2.43 110.962 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 348' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.0 OUTLIER -166.42 124.11 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 3.29 109.325 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 9.1 t0 53.65 -151.88 0.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.418 1.074 . . . . 3.8 109.279 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 350' ' ' ASP . . . . . 0.449 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 18.1 t70 -88.15 42.32 1.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 3.3 109.257 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.449 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 11.9 mtmm -156.11 155.74 33.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 2.81 109.256 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 352' ' ' TYR . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 366' ' ' LYS . 42.4 p90 -145.05 130.21 18.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 2.79 111.015 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -90.2 168.15 12.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 4.02 108.037 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 354' ' ' LEU . . . . . 0.952 HD23 ' CE2' ' A' ' 364' ' ' TYR . 0.1 OUTLIER -131.39 116.48 17.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 2.55 109.271 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.462 HD12 ' N ' ' A' ' 355' ' ' ILE . 1.8 mp -93.41 124.88 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 1.62 109.219 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 21.7 t -124.07 109.53 13.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 1.62 110.034 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 357' ' ' ASN . . . . . 0.432 ' O ' HD23 ' A' ' 358' ' ' LEU . 1.0 OUTLIER 57.14 48.35 15.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 4.54 109.28 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 358' ' ' LEU . . . . . 0.432 HD23 ' O ' ' A' ' 357' ' ' ASN . 0.2 OUTLIER 61.89 32.02 18.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 3.34 109.28 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -141.27 99.93 6.41 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 3.68 110.309 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 360' ' ' PRO . . . . . 0.42 ' HG3' ' CD2' ' A' ' 328' ' ' LEU . 18.3 Cg_endo -75.02 117.67 4.99 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.48 1.779 . . . . 2.28 110.98 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -42.35 125.12 2.84 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 3.17 110.29 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 133.65 16.83 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.459 1.768 . . . . 2.94 111.014 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 363' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 61.62 58.18 2.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 4.19 109.303 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 364' ' ' TYR . . . . . 0.952 ' CE2' HD23 ' A' ' 354' ' ' LEU . 7.5 t80 -134.93 57.62 22.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 2.96 110.982 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 365' ' ' PRO . . . . . 0.525 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -75.09 53.14 3.29 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.534 1.808 . . . . 1.47 111.003 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 366' ' ' LYS . . . . . 0.574 ' HG3' ' CE2' ' A' ' 364' ' ' TYR . 7.4 mmpt? -53.17 147.63 9.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 2.88 109.334 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 78.4 p -121.4 124.3 44.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 2.31 110.011 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 368' ' ' ILE . . . . . 0.606 ' N ' HD13 ' A' ' 368' ' ' ILE . 0.2 OUTLIER -42.95 -34.43 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 3.1 109.338 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 369' ' ' HIS . . . . . 0.44 ' HA ' ' CB ' ' A' ' 373' ' ' PHE . 0.8 OUTLIER -43.01 -28.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.564 1.165 . . . . 3.9 109.659 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 370' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 368' ' ' ILE . 0.3 OUTLIER -50.59 -22.19 1.89 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.534 1.146 . . . . 3.03 110.007 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 173.72 54.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 6.29 110.985 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 372' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 374' ' ' PRO . . . -162.33 -68.87 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.149 . . . . 2.98 110.974 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 373' ' ' PHE . . . . . 0.497 ' CZ ' ' HA ' ' A' ' 376' ' ' PHE . 22.1 t80 -35.01 96.25 0.1 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.483 0.755 . . . . 6.3 111.012 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 374' ' ' PRO . . . . . 0.437 ' N ' ' O ' ' A' ' 372' ' ' GLY . 18.6 Cg_endo -75.02 -61.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.799 . . . . 2.8 111.068 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -122.32 -74.1 0.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.591 1.182 . . . . 4.38 109.322 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 376' ' ' PHE . . . . . 0.497 ' HA ' ' CZ ' ' A' ' 373' ' ' PHE . 14.6 m-85 -141.93 53.52 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 7.48 111.008 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 377' ' ' VAL . . . . . . . . . . . . . 58.1 t -94.41 99.12 8.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.468 1.105 . . . . 2.87 109.371 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.14 30.49 4.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 3.21 109.312 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -174.57 110.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 2.02 109.277 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 8.1 mt -97.48 150.07 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.96 109.246 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.98 -54.28 4.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 2.15 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -159.78 165.12 33.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.79 109.265 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -156.74 129.83 7.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.82 109.261 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 384' ' ' VAL . . . . . 0.896 HG11 HG12 ' A' ' 432' ' ' VAL . 0.0 OUTLIER -132.14 170.22 20.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 2.6 109.279 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 385' ' ' PHE . . . . . 0.596 ' HD2' HD11 ' A' ' 338' ' ' ILE . 32.7 t80 -134.35 123.64 24.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 1.82 110.981 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -102.58 119.63 55.41 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 3.18 109.344 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -20.12 17.03 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.417 1.746 . . . . 1.76 111.026 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.99 -28.71 32.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 2.76 110.347 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.72 -1.41 21.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 4.13 111.009 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 39.86 44.49 1.37 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 3.5 111.029 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -147.47 141.57 26.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 2.97 110.295 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 392' ' ' THR . . . . . 0.637 HG23 ' O ' ' A' ' 384' ' ' VAL . 4.2 m -105.03 115.1 29.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 1.01 110.447 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -79.6 130.0 34.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 2.39 111.02 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -107.22 109.57 21.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 2.14 111.018 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -92.11 113.53 25.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 1.0 110.961 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 396' ' ' VAL . . . . . 0.454 HG12 ' CG ' ' A' ' 397' ' ' ASP . 88.5 t -137.41 125.94 33.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 1.57 109.321 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 397' ' ' ASP . . . . . 0.454 ' CG ' HG12 ' A' ' 396' ' ' VAL . 0.2 OUTLIER 52.83 -152.53 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 4.09 109.231 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -87.16 46.56 1.39 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.111 . . . . 3.28 109.349 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -145.4 164.82 30.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 2.69 110.275 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -126.69 133.71 50.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.602 1.189 . . . . 2.64 111.05 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 401' ' ' TRP . . . . . 0.527 ' CZ2' ' HA ' ' A' ' 412' ' ' PRO . 0.7 OUTLIER -117.46 168.51 10.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 5.11 108.0 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -152.37 116.16 4.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 4.34 110.268 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -100.13 125.35 46.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 6.33 111.02 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.41 125.54 27.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.57 1.168 . . . . 2.3 109.354 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -93.63 -49.59 5.8 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.45 1.094 . . . . 3.56 110.341 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -65.55 -24.17 67.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.18 . . . . 7.48 110.306 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 407' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.0 OUTLIER -97.64 -41.84 7.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 2.47 110.267 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 408' ' ' GLN . . . . . 0.44 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 1.0 OUTLIER 82.0 30.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 4.51 110.305 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 6.7 tpt -136.54 105.17 5.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 1.98 111.047 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.35 146.74 53.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 2.06 110.973 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -104.24 108.02 59.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 2.94 109.321 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 412' ' ' PRO . . . . . 0.527 ' HA ' ' CZ2' ' A' ' 401' ' ' TRP . 18.3 Cg_endo -74.99 -49.12 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.539 1.81 . . . . 4.45 110.982 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . -77.01 55.53 3.53 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.516 1.135 . . . . 2.28 110.948 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 414' ' ' TYR . . . . . 0.49 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 1.9 t80 -134.06 62.48 57.26 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.531 0.783 . . . . 2.03 110.988 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 415' ' ' PRO . . . . . 0.432 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -74.96 70.82 5.17 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.493 1.786 . . . . 1.56 111.046 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 416' ' ' LYS . . . . . 0.49 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 9.4 mmtt -78.53 179.41 7.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 2.9 109.294 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 417' ' ' LEU . . . . . 0.415 HD12 HG22 ' A' ' 419' ' ' THR . 0.6 OUTLIER -122.13 128.83 51.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 3.12 109.239 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.741 HD13 ' O ' ' A' ' 427' ' ' PRO . 2.6 mp -56.98 -51.61 66.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 1.18 109.252 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 419' ' ' THR . . . . . 0.512 HG23 ' N ' ' A' ' 420' ' ' LYS . 4.6 t -59.28 -54.73 43.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 1.34 110.364 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 420' ' ' LYS . . . . . 0.512 ' N ' HG23 ' A' ' 419' ' ' THR . 72.4 mttt -49.22 -52.79 24.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 1.76 109.328 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -53.99 -48.74 70.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 3.16 109.265 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 422' ' ' PHE . . . . . 0.671 ' HB2' HD11 ' A' ' 425' ' ' ILE . 5.9 m-85 -136.34 99.75 4.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 3.13 110.968 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -76.92 111.97 13.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 2.37 110.326 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 141.06 -21.82 2.63 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.549 1.155 . . . . 1.43 110.978 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 425' ' ' ILE . . . . . 0.671 HD11 ' HB2' ' A' ' 422' ' ' PHE . 9.0 pt -95.92 -31.01 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 2.17 109.242 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 101.62 163.16 27.12 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.444 1.09 . . . . 0.95 111.003 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 427' ' ' PRO . . . . . 0.741 ' O ' HD13 ' A' ' 418' ' ' ILE . 18.4 Cg_endo -74.94 -1.64 11.47 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 1.84 110.999 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.16 136.23 52.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 2.31 109.292 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -133.93 158.35 42.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 2.08 109.308 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 430' ' ' ASP . . . . . 0.436 ' CB ' ' O ' ' A' ' 443' ' ' PHE . 0.9 OUTLIER -115.68 -59.76 1.96 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 2.78 109.329 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.658 ' HB1' HG12 ' A' ' 291' ' ' VAL . . . -136.82 148.4 47.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.82 109.354 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.896 HG12 HG11 ' A' ' 384' ' ' VAL . 41.8 t -141.19 131.52 26.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 2.76 109.3 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 433' ' ' PHE . . . . . 0.464 ' CE1' ' HB3' ' A' ' 441' ' ' TYR . 18.0 p90 -145.72 122.94 11.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.453 1.095 . . . . 3.67 110.993 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 434' ' ' TYR . . . . . 0.449 ' O ' HG21 ' A' ' 293' ' ' THR . 69.7 t80 -90.34 100.27 13.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 3.48 111.011 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 435' ' ' SER . . . . . 0.443 ' HB2' HG21 ' A' ' 293' ' ' THR . 37.0 t -141.64 99.51 3.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 3.34 110.023 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 436' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt 176.18 -160.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 4.23 109.265 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -93.14 -35.19 13.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 6.09 109.262 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.47 54.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 3.01 109.343 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -144.02 163.42 33.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 2.42 110.963 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -128.54 127.69 42.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.077 . . . . 3.43 110.943 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 441' ' ' TYR . . . . . 0.464 ' HB3' ' CE1' ' A' ' 433' ' ' PHE . 14.4 m-85 -104.41 150.72 24.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.08 . . . . 2.64 110.958 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 442' ' ' PHE . . . . . 0.418 ' CD1' ' CG2' ' A' ' 425' ' ' ILE . 2.2 m-85 -145.94 142.52 28.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 3.66 111.008 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 443' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 464' ' ' SER . 0.2 OUTLIER -116.06 111.97 21.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 3.58 110.968 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 444' ' ' GLN . . . . . 0.402 ' O ' ' ND2' ' A' ' 447' ' ' ASN . 2.3 tm0? -130.74 62.07 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 4.06 110.269 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 445' ' ' GLY . . . . . 0.431 ' O ' ' ND2' ' A' ' 447' ' ' ASN . . . 90.97 79.36 1.38 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.123 . . . . 2.87 110.959 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 1.5 t 42.32 54.69 4.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 2.78 110.03 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 447' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 445' ' ' GLY . 59.0 m-20 -144.72 110.75 5.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 2.21 109.292 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.25 77.25 1.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 3.5 110.329 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -81.43 145.68 30.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 2.34 110.969 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 458' ' ' ILE . 0.2 OUTLIER -122.64 137.41 54.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 2.94 110.257 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 451' ' ' TYR . . . . . 0.415 ' CE2' ' CE1' ' A' ' 422' ' ' PHE . 73.1 t80 -115.16 129.93 56.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 3.89 110.978 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 452' ' ' ASP . . . . . 0.402 ' OD1' ' CB ' ' A' ' 454' ' ' LEU . 64.2 t0 -110.32 114.27 27.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 3.43 109.267 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -64.75 -18.77 65.35 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 4.79 110.956 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 454' ' ' LEU . . . . . 0.402 ' CB ' ' OD1' ' A' ' 452' ' ' ASP . 22.6 tp -42.96 -41.55 3.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 3.14 109.244 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 456' ' ' GLN . 1.4 pt? -170.16 43.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 2.64 109.301 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 456' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 455' ' ' LEU . 14.2 pt20 37.85 64.08 0.72 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.425 1.078 . . . . 5.38 110.312 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -125.28 110.44 14.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 3.42 110.34 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 458' ' ' ILE . . . . . 0.418 HG23 ' O ' ' A' ' 450' ' ' GLU . 81.3 mt -88.4 94.05 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.066 . . . . 2.03 109.376 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 10.6 p -107.17 45.51 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.58 1.175 . . . . 3.1 110.427 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 460' ' ' LYS . . . . . 0.663 ' HE2' HD22 ' A' ' 462' ' ' LEU . 0.0 OUTLIER -155.39 74.94 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 3.82 109.376 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 461' ' ' THR . . . . . 0.535 HG22 ' O ' ' A' ' 461' ' ' THR . 1.9 m -106.52 75.96 1.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 3.11 110.373 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 462' ' ' LEU . . . . . 0.744 HD11 ' CB ' ' A' ' 466' ' ' SER . 1.9 pt? -128.36 -179.73 5.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 2.82 109.302 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 463' ' ' LYS . . . . . 0.529 ' N ' ' CD ' ' A' ' 463' ' ' LYS . 0.1 OUTLIER -89.37 169.09 11.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 3.31 109.348 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 464' ' ' SER . . . . . 0.571 ' HB2' ' CE1' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -43.67 -28.4 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 2.04 109.969 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 465' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 468' ' ' PHE . 20.9 m120 -38.44 -34.35 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 3.8 109.372 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 466' ' ' SER . . . . . 0.744 ' CB ' HD11 ' A' ' 462' ' ' LEU . 0.9 OUTLIER -43.09 -47.21 6.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 4.18 109.97 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 467' ' ' TRP . . . . . 0.61 ' O ' ' CD1' ' A' ' 468' ' ' PHE . 0.1 OUTLIER -93.23 45.89 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.026 -1.101 . . . . 7.04 108.026 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 468' ' ' PHE . . . . . 0.676 ' CE2' HG21 ' A' ' 316' ' ' THR . 10.9 m-85 -159.35 -41.37 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 6.41 110.986 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 109.58 78.18 1.01 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.574 1.171 . . . . 4.21 111.011 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 470' ' ' CYS . . . . . 1.058 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 N-CA-C 108.294 -1.002 . . . . 5.38 108.294 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 471' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 277' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 120.509 0.195 . . . . 10.63 111.058 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -80.67 163.06 58.1 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 6.92 110.331 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 279' ' ' PRO . . . . . 0.477 ' HA ' HD11 ' A' ' 286' ' ' LEU . 18.4 Cg_endo -74.93 177.53 8.45 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.533 1.807 . . . . 3.28 111.007 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 280' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 279' ' ' PRO . . . 178.48 100.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 3.68 109.293 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 281' ' ' LEU . . . . . 0.723 HD23 ' CH2' ' A' ' 307' ' ' TRP . 0.2 OUTLIER -100.4 77.23 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 2.81 109.297 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 282' ' ' CYS . . . . . 1.022 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 0.1 OUTLIER 174.1 -75.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 4.43 108.32 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.13 131.12 92.23 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 4.05 109.285 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 84.02 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.524 1.802 . . . . 2.35 110.991 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -155.09 26.2 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 2.53 109.311 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 286' ' ' LEU . . . . . 0.518 HD22 ' CZ3' ' A' ' 307' ' ' TRP . 0.4 OUTLIER -103.14 161.38 13.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.118 . . . . 2.13 109.339 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 71.0 m -144.6 162.83 35.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 2.6 109.977 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -131.88 157.11 44.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 2.04 110.933 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -98.22 -47.59 5.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 2.74 109.262 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -143.76 155.18 44.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.86 109.303 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 291' ' ' VAL . . . . . 0.837 HG22 ' HB1' ' A' ' 431' ' ' ALA . 29.4 m -142.24 129.8 20.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.372 1.045 . . . . 2.14 109.333 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 6.4 t -155.04 130.21 9.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 1.17 110.303 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 10.0 t -110.14 156.99 19.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 2.91 110.458 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 24.2 t -140.02 93.5 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 1.88 109.297 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 82.23 -115.45 4.02 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 1.89 111.0 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -106.49 9.04 31.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 3.46 109.264 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.793 ' HA ' HG23 ' A' ' 310' ' ' VAL . 7.1 tttt -114.66 141.27 48.03 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.567 1.167 . . . . 4.13 109.282 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 11.3 mt -119.65 140.48 43.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 2.46 109.266 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 299' ' ' PHE . . . . . 0.558 ' CZ ' ' HG2' ' A' ' 297' ' ' LYS . 35.0 m-85 -128.71 138.64 52.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 2.86 111.009 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 300' ' ' PHE . . . . . 0.434 ' O ' ' HA ' ' A' ' 306' ' ' PHE . 24.3 m-85 -131.43 118.39 20.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 2.65 111.039 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -89.46 145.35 25.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 2.48 110.927 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -153.92 71.57 0.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 3.04 109.312 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 43.81 85.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 3.18 109.328 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 75.89 -56.29 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 7.08 110.33 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 305' ' ' PHE . . . . . 0.528 ' CD2' ' HB ' ' A' ' 318' ' ' VAL . 3.2 m-85 -80.06 122.54 26.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 3.06 111.041 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 306' ' ' PHE . . . . . 0.694 ' HB3' HD11 ' A' ' 321' ' ' ILE . 52.3 p90 -121.85 137.79 54.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.448 1.092 . . . . 1.79 111.046 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 307' ' ' TRP . . . . . 0.723 ' CH2' HD23 ' A' ' 281' ' ' LEU . 4.2 m0 -89.4 127.69 35.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 5.41 107.999 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.417 ' O ' HG22 ' A' ' 316' ' ' THR . 0.3 OUTLIER -115.35 119.07 35.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.078 . . . . 1.76 109.307 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 309' ' ' LYS . . . . . 0.481 ' HB2' HG22 ' A' ' 316' ' ' THR . 6.4 tptt -136.93 90.26 2.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 2.14 109.274 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 310' ' ' VAL . . . . . 0.793 HG23 ' HA ' ' A' ' 297' ' ' LYS . 7.7 p -114.11 170.06 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 3.16 109.364 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 311' ' ' SER . . . . . 0.505 ' H ' HG22 ' A' ' 310' ' ' VAL . 0.6 OUTLIER -58.5 139.32 55.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 4.99 110.004 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 70.39 33.13 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 4.71 110.276 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -106.41 131.3 21.83 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 5.55 110.303 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -43.23 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.482 1.78 . . . . 2.41 110.991 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.03 172.25 17.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.09 . . . . 3.37 109.333 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 316' ' ' THR . . . . . 0.569 HG21 ' HD1' ' A' ' 468' ' ' PHE . 32.6 p -95.04 131.33 41.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 1.56 110.435 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.47 176.46 6.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 2.1 109.945 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 318' ' ' VAL . . . . . 0.528 ' HB ' ' CD2' ' A' ' 305' ' ' PHE . 0.7 OUTLIER -142.1 60.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 2.49 109.252 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 319' ' ' ASN . . . . . 0.436 ' O ' ' CD1' ' A' ' 306' ' ' PHE . 0.8 OUTLIER -94.41 174.23 7.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 2.44 109.274 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.658 ' H ' HD23 ' A' ' 320' ' ' LEU . 0.9 OUTLIER -88.94 141.12 28.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 4.26 109.365 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 321' ' ' ILE . . . . . 0.694 HD11 ' HB3' ' A' ' 306' ' ' PHE . 2.5 mt -70.16 -50.23 48.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 1.87 109.236 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 322' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 324' ' ' LEU . 0.5 OUTLIER -38.2 -37.61 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 2.42 109.988 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 13.0 t -41.31 -27.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 2.99 109.987 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 324' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 322' ' ' SER . 3.2 mp -113.45 -73.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 2.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 325' ' ' TRP . . . . . 0.619 ' CH2' HD21 ' A' ' 346' ' ' LEU . 5.2 m0 -51.84 139.59 31.35 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 2.35 108.024 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 326' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 325' ' ' TRP . 18.2 Cg_endo -74.98 -87.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.512 1.796 . . . . 1.59 111.017 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 327' ' ' THR . . . . . 0.838 ' O ' HD22 ' A' ' 328' ' ' LEU . 1.4 t -97.75 89.58 4.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 1.98 110.443 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.838 HD22 ' O ' ' A' ' 327' ' ' THR . 3.7 mm? -140.95 162.28 49.26 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 1.87 109.293 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 329' ' ' PRO . . . . . 0.435 ' O ' ' CB ' ' A' ' 330' ' ' SER . 18.3 Cg_endo -75.0 -41.78 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.555 1.819 . . . . 3.12 110.997 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 330' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 329' ' ' PRO . 0.9 OUTLIER 80.07 1.1 2.05 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.553 1.158 . . . . 5.11 110.022 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -140.3 57.29 0.6 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.517 1.135 . . . . 1.76 110.973 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.586 HD13 HD12 ' A' ' 346' ' ' LEU . 1.5 mp -70.15 149.27 10.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.441 0.73 . . . . 1.75 109.301 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -106.36 -21.29 13.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.587 1.179 . . . . 3.52 110.326 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -141.61 111.58 6.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.88 109.299 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -120.59 136.52 54.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.92 109.34 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 336' ' ' TYR . . . . . 0.515 ' C ' ' CD1' ' A' ' 336' ' ' TYR . 0.0 OUTLIER -127.5 171.97 11.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 3.6 110.941 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 337' ' ' GLU . . . . . 0.904 ' OE1' HG22 ' A' ' 344' ' ' VAL . 50.5 tp10 -147.49 159.75 43.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 3.5 110.343 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 338' ' ' ILE . . . . . 0.642 ' O ' HG23 ' A' ' 338' ' ' ILE . 1.3 tt -152.1 100.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 3.45 109.334 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.31 -14.74 62.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 2.8 110.323 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -69.27 -50.92 42.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 2.57 109.284 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 341' ' ' ARG . . . . . 0.466 ' O ' ' CB ' ' A' ' 342' ' ' ASN . 14.3 mtp180 -89.57 -32.24 17.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 3.46 110.301 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 342' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 341' ' ' ARG . 0.5 OUTLIER 79.37 52.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 2.8 109.253 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.18 148.17 39.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 4.44 110.327 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 344' ' ' VAL . . . . . 0.904 HG22 ' OE1' ' A' ' 337' ' ' GLU . 23.3 t -116.09 139.46 42.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 1.8 109.252 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 345' ' ' PHE . . . . . 0.403 ' HB2' ' CD1' ' A' ' 336' ' ' TYR . 0.0 OUTLIER -122.58 137.86 54.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 3.71 110.955 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 0.619 HD21 ' CH2' ' A' ' 325' ' ' TRP . 2.5 mm? -118.11 131.23 56.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 1.46 109.288 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -109.73 140.07 44.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.09 . . . . 2.57 111.021 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 348' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.1 OUTLIER -160.48 111.11 1.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 4.42 109.368 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 3.1 t0 57.51 -150.4 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 3.03 109.349 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 350' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 38.6 p-10 -84.78 41.26 0.85 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 3.19 109.219 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.409 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 10.8 mttp -156.43 141.53 17.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 1.65 109.335 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 352' ' ' TYR . . . . . 0.669 ' CD1' HG23 ' A' ' 368' ' ' ILE . 43.7 p90 -146.96 123.92 11.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.423 1.077 . . . . 2.83 111.019 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 353' ' ' TRP . . . . . 0.435 ' CZ3' ' O ' ' A' ' 361' ' ' GLU . 31.4 m95 -92.05 158.63 16.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 5.92 107.979 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 354' ' ' LEU . . . . . 0.762 HD12 ' C ' ' A' ' 354' ' ' LEU . 0.0 OUTLIER -118.9 117.22 28.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 1.77 109.288 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.541 HD13 HD23 ' A' ' 346' ' ' LEU . 2.7 mp -91.37 107.94 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 1.36 109.281 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 18.3 t -87.59 98.6 11.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 1.7 109.973 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 73.93 -63.68 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 3.55 109.362 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -165.97 30.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 3.4 109.295 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 1.5 tpt85 -148.21 115.73 3.99 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 5.04 110.26 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 360' ' ' PRO . . . . . 0.49 ' HA ' ' O ' ' A' ' 354' ' ' LEU . 18.2 Cg_endo -75.01 137.78 22.15 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.558 1.82 . . . . 1.5 111.021 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 361' ' ' GLU . . . . . 0.435 ' O ' ' CZ3' ' A' ' 353' ' ' TRP . 16.6 mm-40 -56.99 122.2 51.38 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 2.32 110.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.23 15.22 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 2.12 110.984 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 363' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 62.73 61.4 1.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 4.41 109.309 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 364' ' ' TYR . . . . . 0.522 ' N ' ' HD3' ' A' ' 365' ' ' PRO . 2.6 t80 -135.75 57.46 19.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 3.61 111.053 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 365' ' ' PRO . . . . . 0.522 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -74.98 49.4 2.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 1.43 110.999 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 366' ' ' LYS . . . . . 0.436 ' CB ' ' CZ ' ' A' ' 352' ' ' TYR . 7.2 mmpt? -51.82 153.89 2.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 2.2 109.251 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 367' ' ' SER . . . . . 0.487 ' HB3' ' CE1' ' A' ' 369' ' ' HIS . 18.4 m -122.61 120.95 35.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 1.78 110.042 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 368' ' ' ILE . . . . . 0.669 HG23 ' CD1' ' A' ' 352' ' ' TYR . 8.4 pt -60.52 -31.43 48.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 1.97 109.276 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 369' ' ' HIS . . . . . 0.487 ' CE1' ' HB3' ' A' ' 367' ' ' SER . 6.4 p80 -68.15 -29.66 68.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 4.17 109.677 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 29.1 t -68.62 -7.81 36.36 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.541 1.15 . . . . 2.53 109.967 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -99.64 36.32 1.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 5.05 111.078 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . 121.04 -69.99 0.4 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.485 1.115 . . . . 3.8 110.986 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 373' ' ' PHE . . . . . 0.565 ' O ' ' CD2' ' A' ' 373' ' ' PHE . 3.4 t80 58.16 102.72 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.439 0.729 . . . . 5.08 110.963 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 374' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -78.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 2.94 111.006 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 375' ' ' ASN . . . . . 0.496 ' ND2' ' H ' ' A' ' 376' ' ' PHE . 0.4 OUTLIER -122.61 -75.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 6.63 109.308 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 376' ' ' PHE . . . . . 0.496 ' H ' ' ND2' ' A' ' 375' ' ' ASN . 1.6 t80 -126.91 82.57 2.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 7.61 110.961 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 377' ' ' VAL . . . . . . . . . . . . . 87.5 t -126.11 80.54 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 2.57 109.351 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.05 -0.44 10.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 3.65 109.335 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.19 127.1 7.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 3.4 109.312 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 9.0 mt -98.46 150.15 5.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 1.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.89 -47.04 13.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 1.92 109.299 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 382' ' ' ALA . . . . . 0.774 ' HB1' HG22 ' A' ' 432' ' ' VAL . . . -153.39 158.12 40.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.81 109.26 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -150.74 120.38 6.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.86 109.346 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 384' ' ' VAL . . . . . 0.766 ' HB ' HG23 ' A' ' 432' ' ' VAL . 9.0 p -140.29 157.06 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.374 1.047 . . . . 2.08 109.28 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 385' ' ' PHE . . . . . 0.427 ' CD1' HD12 ' A' ' 338' ' ' ILE . 51.8 t80 -98.42 153.43 18.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 2.09 111.021 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 386' ' ' ASN . . . . . 0.431 ' ND2' ' CE1' ' A' ' 393' ' ' TYR . 0.3 OUTLIER -113.46 120.87 38.85 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 2.86 109.322 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -44.38 0.34 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 2.5 111.009 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 1.3 tpt85 -84.39 44.06 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 2.65 110.3 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 389' ' ' PHE . . . . . 0.589 ' C ' ' CG ' ' A' ' 390' ' ' TYR . 0.1 OUTLIER -171.07 -36.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 2.75 110.986 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 390' ' ' TYR . . . . . 0.589 ' CG ' ' C ' ' A' ' 389' ' ' PHE . 1.9 m-85 73.01 30.07 1.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 2.87 110.992 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 10.6 mtt85 -133.92 154.29 51.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 3.11 110.3 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 392' ' ' THR . . . . . 0.647 HG22 ' H ' ' A' ' 393' ' ' TYR . 20.7 m -86.35 179.4 6.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 1.55 110.406 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 393' ' ' TYR . . . . . 0.647 ' H ' HG22 ' A' ' 392' ' ' THR . 7.5 m-85 -136.41 113.13 10.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 1.78 110.984 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -99.4 103.65 15.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 3.11 111.017 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 395' ' ' PHE . . . . . 0.474 ' CG ' HG21 ' A' ' 429' ' ' ILE . 18.5 m-85 -101.74 112.22 24.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 1.47 111.024 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 396' ' ' VAL . . . . . 0.869 HG22 ' OD1' ' A' ' 397' ' ' ASP . 3.9 p -138.85 130.94 37.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.39 1.056 . . . . 2.74 109.281 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 397' ' ' ASP . . . . . 0.869 ' OD1' HG22 ' A' ' 396' ' ' VAL . 0.1 OUTLIER 55.7 -152.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 3.25 109.284 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 398' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 398' ' ' ASN . 34.1 t30 -87.97 50.31 1.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 3.76 109.311 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 399' ' ' GLN . . . . . 0.449 ' HB3' ' CZ3' ' A' ' 401' ' ' TRP . 0.2 OUTLIER -150.18 167.02 28.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 2.52 110.303 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 400' ' ' TYR . . . . . 0.453 ' CE1' ' O ' ' A' ' 401' ' ' TRP . 0.6 OUTLIER -143.39 120.08 11.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 2.72 110.976 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 401' ' ' TRP . . . . . 0.453 ' O ' ' CE1' ' A' ' 400' ' ' TYR . 11.6 m-90 -108.84 179.49 4.16 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.943 -1.132 . . . . 5.06 107.943 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 402' ' ' ARG . . . . . 0.41 ' NH1' ' CD2' ' A' ' 389' ' ' PHE . 1.3 tpp180 -145.31 127.31 15.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.581 1.176 . . . . 4.12 110.259 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -119.0 129.64 55.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 5.13 111.016 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.39 128.5 35.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 3.01 109.278 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -86.22 -50.63 6.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.599 1.187 . . . . 4.18 110.329 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -61.36 -56.64 18.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 10.45 110.233 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -67.23 -38.75 85.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 4.06 110.3 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 70.5 49.77 0.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 5.19 110.34 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 4.6 tpt -149.81 100.73 2.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 2.32 111.071 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.17 140.04 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 2.14 110.97 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.88 158.68 85.46 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 4.33 109.261 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 412' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -75.01 134.46 17.82 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.463 1.77 . . . . 3.58 111.039 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 43.37 -92.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.424 1.077 . . . . 3.19 110.974 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 414' ' ' TYR . . . . . 0.587 ' N ' ' HD3' ' A' ' 415' ' ' PRO . 0.1 OUTLIER 63.79 53.89 1.57 Allowed Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.517 0.775 . . . . 3.43 111.037 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 415' ' ' PRO . . . . . 0.587 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.4 Cg_endo -74.89 60.34 5.33 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.524 1.802 . . . . 2.82 111.032 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt -92.45 177.14 6.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 6.65 109.265 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.26 163.44 20.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 2.77 109.29 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.435 HD11 ' N ' ' A' ' 399' ' ' GLN . 2.8 mp -70.18 -56.39 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 1.3 109.281 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 419' ' ' THR . . . . . 0.495 HG23 ' N ' ' A' ' 420' ' ' LYS . 3.9 t -57.12 -54.11 50.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 1.67 110.414 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 420' ' ' LYS . . . . . 0.495 ' N ' HG23 ' A' ' 419' ' ' THR . 1.1 mttt -40.59 -52.42 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 3.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -70.58 -62.97 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 2.99 109.323 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 422' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -118.93 80.97 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 2.78 111.022 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 423' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 419' ' ' THR . 0.0 OUTLIER -87.2 66.84 9.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 3.31 110.321 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -118.72 -18.36 4.82 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.5 1.125 . . . . 1.68 111.023 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 425' ' ' ILE . . . . . 0.737 ' N ' HD13 ' A' ' 425' ' ' ILE . 0.2 OUTLIER -126.41 -43.38 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 3.62 109.298 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 426' ' ' GLY . . . . . 0.444 ' C ' ' H ' ' A' ' 428' ' ' LYS . . . 152.09 175.35 23.65 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.458 1.099 . . . . 1.07 111.032 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 427' ' ' PRO . . . . . 0.46 ' HB3' ' CG2' ' A' ' 419' ' ' THR . 18.1 Cg_endo -75.07 40.97 0.7 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.45 1.763 . . . . 1.91 110.916 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' A' ' 426' ' ' GLY . 0.0 OUTLIER -159.72 141.07 12.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 2.74 109.311 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 429' ' ' ILE . . . . . 0.488 ' CD1' ' HB3' ' A' ' 442' ' ' PHE . 7.5 tp -133.88 154.28 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 1.86 109.351 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -117.91 -60.01 1.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 2.82 109.279 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.837 ' HB1' HG22 ' A' ' 291' ' ' VAL . . . -137.21 146.41 44.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.77 109.268 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.774 HG22 ' HB1' ' A' ' 382' ' ' ALA . 29.3 m -149.63 138.81 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 2.79 109.274 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 433' ' ' PHE . . . . . 0.684 ' HB3' HG23 ' A' ' 291' ' ' VAL . 1.5 p90 -155.0 146.18 22.81 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 2.76 111.019 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -97.62 106.56 18.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 3.98 110.998 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 435' ' ' SER . . . . . 0.547 ' HB3' ' CE2' ' A' ' 433' ' ' PHE . 98.5 p -116.39 -36.09 4.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 2.94 110.0 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 436' ' ' LYS . . . . . 0.411 ' CB ' ' HB2' ' A' ' 439' ' ' TYR . 3.5 mmmt -62.0 -169.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 4.53 109.318 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -91.35 -46.39 8.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 4.88 109.326 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 438' ' ' LYS . . . . . 0.409 ' CG ' ' O ' ' A' ' 438' ' ' LYS . 0.0 OUTLIER -146.67 58.08 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 4.26 109.284 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 439' ' ' TYR . . . . . 0.504 ' CD1' ' OE2' ' A' ' 450' ' ' GLU . 89.1 m-85 -152.46 166.61 31.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.576 1.172 . . . . 2.42 111.022 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -128.94 132.26 47.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 3.3 111.039 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 441' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -102.47 123.65 46.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 2.14 111.032 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 442' ' ' PHE . . . . . 0.488 ' HB3' ' CD1' ' A' ' 429' ' ' ILE . 15.1 m-85 -123.32 146.1 48.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 3.55 110.999 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 443' ' ' PHE . . . . . 0.552 ' CD1' ' C ' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -148.75 144.44 27.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 5.76 110.973 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -153.84 85.61 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.077 . . . . 4.84 110.322 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 124.19 -89.8 0.4 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.141 . . . . 2.12 111.0 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.8 43.99 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 2.71 109.978 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -154.6 144.8 21.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 2.55 109.275 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -127.22 95.98 4.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 3.96 110.293 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 449' ' ' PHE . . . . . 0.482 ' HB2' ' CG2' ' A' ' 425' ' ' ILE . 3.8 m-85 -88.64 162.22 16.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 2.45 111.003 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 0.504 ' OE2' ' CD1' ' A' ' 439' ' ' TYR . 45.1 tt0 -123.45 143.94 49.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 2.77 110.307 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -115.08 153.13 31.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 2.91 111.029 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -141.3 127.82 20.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 3.24 109.305 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 453' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 454' ' ' LEU . 25.6 t80 -64.22 -15.95 61.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 3.65 110.904 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 454' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 453' ' ' PHE . 6.6 tp -39.6 -48.14 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 2.74 109.318 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.472 HD13 ' HG3' ' A' ' 457' ' ' ARG . 0.3 OUTLIER -171.88 37.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 3.21 109.334 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 46.85 74.0 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 3.34 110.282 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 457' ' ' ARG . . . . . 0.472 ' HG3' HD13 ' A' ' 455' ' ' LEU . 0.0 OUTLIER -139.81 176.18 8.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 4.38 110.297 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 1.1 mp -112.87 122.24 66.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 1.75 109.32 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 45.4 p -95.74 -55.83 2.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 3.98 110.39 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.02 157.48 24.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.592 1.183 . . . . 5.57 109.274 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 461' ' ' THR . . . . . 0.614 ' C ' HD13 ' A' ' 462' ' ' LEU . 3.2 m -152.86 113.83 4.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 2.78 110.376 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 462' ' ' LEU . . . . . 0.614 HD13 ' C ' ' A' ' 461' ' ' THR . 0.3 OUTLIER -102.1 169.79 8.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 2.61 109.277 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.79 59.2 1.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.092 . . . . 3.38 109.315 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 59.8 p 42.64 36.07 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 2.92 110.032 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -175.93 54.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 2.8 109.408 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 466' ' ' SER . . . . . 0.594 ' O ' ' CD1' ' A' ' 467' ' ' TRP . 3.6 m -112.78 -17.23 12.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 2.64 110.039 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 467' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 466' ' ' SER . 9.5 m0 -145.41 68.19 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 6.33 108.026 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 468' ' ' PHE . . . . . 0.569 ' HD1' HG21 ' A' ' 316' ' ' THR . 88.0 m-85 -162.35 -66.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 7.33 111.023 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -132.25 -46.84 0.12 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 2.54 110.976 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 470' ' ' CYS . . . . . 1.022 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 39.6 m . . . . . 0 C--N 1.325 -0.463 0 N-CA-C 108.301 -1.0 . . . . 4.25 108.301 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 471' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 277' ' ' MET . . . . . 0.422 ' HG2' ' CD1' ' A' ' 305' ' ' PHE . 5.0 mtm . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.482 0.182 . . . . 10.55 111.028 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -131.82 111.2 14.65 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.601 1.188 . . . . 6.75 110.267 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 279' ' ' PRO . . . . . 0.585 ' O ' ' HB2' ' A' ' 280' ' ' ALA . 18.3 Cg_endo -74.99 -51.68 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.537 1.809 . . . . 4.28 110.97 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 280' ' ' ALA . . . . . 0.585 ' HB2' ' O ' ' A' ' 279' ' ' PRO . . . 169.63 103.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 3.74 109.342 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 281' ' ' LEU . . . . . 0.413 ' HG ' ' CE2' ' A' ' 468' ' ' PHE . 1.9 mm? -71.65 -46.11 59.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 3.75 109.29 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 282' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.42 60.13 3.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 4.27 108.277 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -178.94 111.43 0.21 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 4.65 109.301 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 90.64 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.557 1.819 . . . . 1.95 110.969 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -170.57 48.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 3.93 109.354 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 286' ' ' LEU . . . . . 0.522 HD23 ' N ' ' A' ' 287' ' ' SER . 6.5 tt -113.03 163.68 14.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 3.2 109.362 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 287' ' ' SER . . . . . 0.522 ' N ' HD23 ' A' ' 286' ' ' LEU . 54.4 p -142.93 163.18 33.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 2.09 110.0 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -124.49 176.99 6.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 2.04 111.049 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 289' ' ' ASP . . . . . 0.98 ' O ' 'CA ' ' A' ' 471' ' ' ' CA' . 0.2 OUTLIER -132.46 -48.74 0.9 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.103 . . . . 3.32 109.299 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -137.58 147.91 45.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 1.05 109.254 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 291' ' ' VAL . . . . . 0.742 HG22 ' HB1' ' A' ' 431' ' ' ALA . 28.1 m -147.24 140.91 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 2.28 109.334 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -151.04 156.83 41.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 1.38 110.383 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 293' ' ' THR . . . . . 0.633 HG21 ' CB ' ' A' ' 435' ' ' SER . 8.8 t -121.59 141.0 51.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 2.55 110.426 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 87.3 t -128.11 122.0 57.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 2.12 109.338 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 57.35 -118.27 12.05 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 1.69 110.944 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 296' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 296' ' ' ASN . 7.7 t30 -109.52 23.29 14.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 4.29 109.343 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.888 ' HA ' HG21 ' A' ' 310' ' ' VAL . 18.3 mtmm -131.03 165.56 22.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.073 . . . . 3.96 109.292 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 298' ' ' ILE . . . . . 0.927 HD12 HG23 ' A' ' 310' ' ' VAL . 5.7 mt -124.39 135.72 62.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 2.88 109.27 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 299' ' ' PHE . . . . . 0.469 ' CZ ' HD11 ' A' ' 308' ' ' LEU . 8.1 m-85 -133.35 97.85 4.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 3.5 111.031 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 300' ' ' PHE . . . . . 0.429 ' O ' ' HB2' ' A' ' 306' ' ' PHE . 26.3 m-85 -80.8 156.99 25.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 2.87 111.04 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 301' ' ' PHE . . . . . 0.492 ' HB3' HD13 ' A' ' 332' ' ' ILE . 9.3 m-85 -131.17 157.91 41.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 3.37 111.01 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 302' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 305' ' ' PHE . 0.0 OUTLIER -165.14 143.12 6.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 4.05 109.305 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 303' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 304' ' ' ARG . 3.7 t0 -42.3 144.69 0.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.592 1.182 . . . . 4.44 109.295 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 304' ' ' ARG . . . . . 0.752 ' O ' HD12 ' A' ' 320' ' ' LEU . 0.0 OUTLIER 68.86 -72.14 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 6.6 110.363 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 305' ' ' PHE . . . . . 0.491 ' O ' ' O ' ' A' ' 302' ' ' LYS . 7.2 m-85 -127.43 159.1 35.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 2.72 110.988 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 306' ' ' PHE . . . . . 0.44 ' CB ' ' HA ' ' A' ' 301' ' ' PHE . 8.8 p90 -119.73 176.09 5.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 2.13 110.981 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 307' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -127.4 162.47 26.25 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.552 1.158 . . . . 4.61 108.038 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.71 HD23 ' N ' ' A' ' 309' ' ' LYS . 3.1 tt -153.79 122.81 6.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 3.87 109.278 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 309' ' ' LYS . . . . . 0.71 ' N ' HD23 ' A' ' 308' ' ' LEU . 3.4 tptt -152.35 117.05 5.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 2.91 109.291 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 310' ' ' VAL . . . . . 0.927 HG23 HD12 ' A' ' 298' ' ' ILE . 2.4 p -140.17 -173.29 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 4.36 109.251 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 311' ' ' SER . . . . . 0.726 ' H ' HG22 ' A' ' 310' ' ' VAL . 4.8 m -66.47 141.05 58.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 7.88 110.018 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 72.19 28.24 2.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 6.28 110.332 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 313' ' ' ARG . . . . . 0.406 ' NH2' ' HB2' ' A' ' 317' ' ' SER . 8.3 tpt180 -106.5 116.24 59.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 4.68 110.289 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -21.67 15.64 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 2.42 111.031 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -169.88 159.92 8.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 4.33 109.329 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 316' ' ' THR . . . . . 0.475 HG22 ' HD2' ' A' ' 309' ' ' LYS . 10.3 p -81.45 127.32 32.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 1.64 110.411 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 317' ' ' SER . . . . . 0.406 ' HB2' ' NH2' ' A' ' 313' ' ' ARG . 0.5 OUTLIER -89.5 98.95 12.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 2.36 109.997 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 74.3 t -91.25 122.78 43.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 3.05 109.309 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 319' ' ' ASN . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 306' ' ' PHE . 2.9 m120 -142.05 179.55 6.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 2.29 109.331 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.752 HD12 ' O ' ' A' ' 304' ' ' ARG . 12.4 tp -98.83 152.78 19.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 2.21 109.316 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 321' ' ' ILE . . . . . 0.516 HG22 ' N ' ' A' ' 322' ' ' SER . 0.7 OUTLIER -66.24 -65.83 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.426 1.079 . . . . 1.32 109.327 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 322' ' ' SER . . . . . 0.516 ' N ' HG22 ' A' ' 321' ' ' ILE . 0.2 OUTLIER -39.9 -49.58 2.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 1.94 109.962 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 1.1 m -41.27 -37.54 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 1.66 109.988 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 324' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 321' ' ' ILE . 1.4 mt -102.24 -83.18 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 2.34 109.322 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -51.24 152.62 4.04 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 2.09 108.004 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 326' ' ' PRO . . . . . 0.465 ' HG2' ' CG ' ' A' ' 360' ' ' PRO . 18.5 Cg_endo -74.98 -82.32 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.458 1.767 . . . . 1.14 111.035 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 327' ' ' THR . . . . . 0.453 ' O ' HG23 ' A' ' 327' ' ' THR . 2.2 t -126.4 98.73 5.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 1.92 110.367 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.462 HD13 ' CD ' ' A' ' 329' ' ' PRO . 0.6 OUTLIER -115.41 162.15 26.26 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 1.78 109.311 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 329' ' ' PRO . . . . . 0.462 ' CD ' HD13 ' A' ' 328' ' ' LEU . 18.3 Cg_endo -74.98 -3.01 13.29 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.507 1.793 . . . . 3.57 111.03 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 330' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 331' ' ' GLY . 0.8 OUTLIER 50.19 -155.23 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 3.15 109.993 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 331' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 330' ' ' SER . . . 32.15 41.07 0.08 OUTLIER Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.55 1.156 . . . . 1.69 110.984 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.492 HD13 ' HB3' ' A' ' 301' ' ' PHE . 2.1 mp -50.67 124.05 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.58 0.812 . . . . 1.98 109.327 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.09 -41.61 9.86 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.593 1.183 . . . . 2.93 110.308 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -150.28 136.87 19.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 1.2 109.313 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -127.35 133.75 50.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 1.16 109.344 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 336' ' ' TYR . . . . . 0.542 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 7.3 p90 -151.36 123.43 8.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 3.12 111.007 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 337' ' ' GLU . . . . . 0.59 ' HB3' HG12 ' A' ' 344' ' ' VAL . 2.7 pt-20 -117.99 154.44 31.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 3.8 110.291 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 338' ' ' ILE . . . . . 0.843 HD11 ' HB3' ' A' ' 385' ' ' PHE . 27.2 mm -126.64 98.34 4.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 3.79 109.288 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -46.47 -28.27 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 4.21 110.328 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 340' ' ' ALA . . . . . 0.532 ' HB3' HG22 ' A' ' 338' ' ' ILE . . . -61.09 -40.72 94.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 1.89 109.312 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.66 -10.38 37.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 3.54 110.3 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 2.1 t30 53.39 42.49 32.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 2.41 109.304 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -134.88 178.52 6.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 2.71 110.276 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 344' ' ' VAL . . . . . 0.59 HG12 ' HB3' ' A' ' 337' ' ' GLU . 15.3 m -142.94 167.59 14.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 2.95 109.282 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 345' ' ' PHE . . . . . 0.648 ' C ' HD22 ' A' ' 346' ' ' LEU . 77.9 m-85 -152.36 138.59 18.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 3.22 111.011 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 0.742 HD23 HD13 ' A' ' 355' ' ' ILE . 2.2 mm? -124.14 122.13 37.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 1.78 109.397 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 347' ' ' PHE . . . . . 0.452 ' CD2' HD13 ' A' ' 380' ' ' ILE . 11.2 m-30 -95.84 143.74 26.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 3.15 111.029 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 348' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 351' ' ' LYS . 45.7 tptt -165.04 114.46 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 3.55 109.267 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.5 t70 58.81 -150.63 0.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 3.28 109.258 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 350' ' ' ASP . . . . . 0.446 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 1.4 p-10 -87.65 40.56 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 2.81 109.306 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 4.2 mtmp? -156.57 148.54 22.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 2.16 109.287 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 352' ' ' TYR . . . . . 0.6 ' CD1' HG23 ' A' ' 368' ' ' ILE . 32.5 p90 -145.42 132.19 20.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 2.54 111.003 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 353' ' ' TRP . . . . . 0.517 ' CZ3' ' O ' ' A' ' 361' ' ' GLU . 11.1 m95 -89.87 174.0 7.93 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.99 -1.115 . . . . 6.0 107.99 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 354' ' ' LEU . . . . . 0.516 HD13 ' CE1' ' A' ' 345' ' ' PHE . 1.7 tp -135.41 114.58 12.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 1.78 109.326 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.742 HD13 HD23 ' A' ' 346' ' ' LEU . 1.9 mp -104.3 118.16 51.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 1.53 109.32 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 356' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 358' ' ' LEU . 90.7 p -101.55 101.39 11.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 2.39 110.005 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 69.49 -62.38 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.08 . . . . 4.15 109.337 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 358' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 356' ' ' SER . 1.8 tp -172.11 73.32 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 4.41 109.282 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 175.16 106.54 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 4.15 110.31 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 360' ' ' PRO . . . . . 0.465 ' CG ' ' HG2' ' A' ' 326' ' ' PRO . 18.0 Cg_endo -75.06 117.78 5.02 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.502 1.791 . . . . 1.9 110.98 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 361' ' ' GLU . . . . . 0.517 ' O ' ' CZ3' ' A' ' 353' ' ' TRP . 3.5 mm-40 -40.62 123.94 1.85 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 2.18 110.3 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 129.46 12.36 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.594 1.839 . . . . 1.78 111.004 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 363' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 61.02 62.81 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 3.69 109.261 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 364' ' ' TYR . . . . . 0.576 ' CD1' ' HE3' ' A' ' 366' ' ' LYS . 0.5 OUTLIER -136.08 55.56 12.25 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 3.03 111.002 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 365' ' ' PRO . . . . . 0.565 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -74.94 51.72 2.84 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 1.24 111.001 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 366' ' ' LYS . . . . . 0.576 ' HE3' ' CD1' ' A' ' 364' ' ' TYR . 0.1 OUTLIER -54.79 156.96 3.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 1.65 109.302 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 367' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 370' ' ' SER . 0.7 OUTLIER -119.95 118.41 30.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 2.51 110.016 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 368' ' ' ILE . . . . . 0.6 HG23 ' CD1' ' A' ' 352' ' ' TYR . 1.2 pt -51.25 -37.99 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 1.9 109.324 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -15.13 51.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 4.61 109.584 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 370' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 367' ' ' SER . 17.7 t -64.54 -10.46 26.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 2.43 109.982 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 371' ' ' PHE . . . . . 0.525 ' O ' ' CD2' ' A' ' 371' ' ' PHE . 5.0 p90 -152.03 29.53 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 7.7 111.012 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 372' ' ' GLY . . . . . 0.526 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -142.44 -49.11 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.136 . . . . 3.11 110.967 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 373' ' ' PHE . . . . . 0.643 ' O ' ' CD2' ' A' ' 373' ' ' PHE . 17.6 p90 27.33 59.27 0.56 Allowed Pre-proline 0 C--N 1.323 -0.557 0 O-C-N 124.474 0.749 . . . . 9.64 110.973 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 374' ' ' PRO . . . . . 0.54 ' HB2' ' CZ2' ' A' ' 401' ' ' TRP . 18.5 Cg_endo -74.97 -4.61 15.66 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.526 1.803 . . . . 3.6 111.039 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 64.18 30.57 13.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 5.38 109.248 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 2.6 t80 178.61 50.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 5.91 111.027 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 377' ' ' VAL . . . . . 0.409 HG21 HD12 ' A' ' 368' ' ' ILE . 0.4 OUTLIER -104.23 161.18 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 3.21 109.299 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.54 -39.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 3.83 109.326 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -162.7 136.54 6.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 3.51 109.292 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 380' ' ' ILE . . . . . 0.655 ' HA ' HG22 ' A' ' 396' ' ' VAL . 6.4 mt -93.73 149.46 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 1.28 109.274 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 381' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 429' ' ' ILE . 0.8 OUTLIER -89.12 -50.78 5.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 2.18 109.336 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 382' ' ' ALA . . . . . 0.679 ' HB1' HG12 ' A' ' 432' ' ' VAL . . . -155.4 166.39 33.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.588 1.18 . . . . 0.93 109.223 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -156.67 120.98 4.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.79 109.302 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 384' ' ' VAL . . . . . 0.716 ' O ' HG23 ' A' ' 392' ' ' THR . 2.1 t -128.24 145.39 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 2.45 109.236 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 385' ' ' PHE . . . . . 0.843 ' HB3' HD11 ' A' ' 338' ' ' ILE . 0.1 OUTLIER -104.4 127.97 52.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 5.0 111.029 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -115.0 104.72 53.81 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 2.39 109.321 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -12.06 21.36 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.465 1.771 . . . . 2.96 111.016 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.22 -30.61 34.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 2.81 110.289 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -117.36 14.03 14.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 3.31 111.011 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 390' ' ' TYR . . . . . 0.52 ' O ' ' CB ' ' A' ' 405' ' ' GLU . 28.1 m-85 38.84 45.97 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 3.28 110.978 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 391' ' ' ARG . . . . . 0.502 ' CG ' ' N ' ' A' ' 392' ' ' THR . 17.8 ttt-85 -149.16 159.06 44.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 8.91 110.307 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 392' ' ' THR . . . . . 0.716 HG23 ' O ' ' A' ' 384' ' ' VAL . 7.1 m -119.55 129.72 54.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.71 110.393 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 393' ' ' TYR . . . . . 0.447 ' HB3' ' CE1' ' A' ' 395' ' ' PHE . 70.9 m-85 -79.28 100.56 7.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 1.72 110.999 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -91.21 101.33 14.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 2.14 111.01 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 395' ' ' PHE . . . . . 0.447 ' CE1' ' HB3' ' A' ' 393' ' ' TYR . 94.3 m-85 -90.1 117.73 29.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 1.4 110.985 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 396' ' ' VAL . . . . . 0.684 HG21 ' CZ3' ' A' ' 401' ' ' TRP . 51.0 t -137.16 128.84 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 1.99 109.244 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 56.15 -149.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 3.15 109.346 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -88.2 40.0 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 2.94 109.327 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 399' ' ' GLN . . . . . 0.751 ' O ' HD11 ' A' ' 418' ' ' ILE . 54.9 mt-30 -150.23 176.65 10.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 2.13 110.297 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 400' ' ' TYR . . . . . 0.614 ' CD1' ' O ' ' A' ' 400' ' ' TYR . 16.5 p90 -136.27 129.13 31.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 6.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 401' ' ' TRP . . . . . 0.684 ' CZ3' HG21 ' A' ' 396' ' ' VAL . 15.8 m0 -91.64 170.38 9.97 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.04 -1.096 . . . . 5.88 108.04 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.05 99.58 3.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 4.3 110.294 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 403' ' ' TYR . . . . . 0.428 ' O ' ' CG ' ' A' ' 403' ' ' TYR . 14.1 t80 -102.27 85.17 2.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 5.47 111.069 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -49.84 136.95 17.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 2.78 109.359 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 405' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 390' ' ' TYR . 0.5 OUTLIER -101.67 -40.69 6.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 4.01 110.329 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 406' ' ' ARG . . . . . 0.459 ' HB3' ' CB ' ' A' ' 390' ' ' TYR . 1.7 ppt_? -56.75 -36.25 69.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 8.7 110.305 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 407' ' ' ARG . . . . . 0.462 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.0 OUTLIER -100.08 -38.47 8.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 2.57 110.271 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 408' ' ' GLN . . . . . 0.462 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 2.9 tt0 83.5 22.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 2.91 110.31 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.84 124.09 44.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 3.13 110.959 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.86 138.29 36.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 3.04 111.007 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.86 138.69 78.3 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 3.54 109.264 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 111.59 3.36 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.476 1.777 . . . . 3.01 111.015 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 40.14 93.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 3.32 111.078 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 414' ' ' TYR . . . . . 0.431 ' CE1' ' HG3' ' A' ' 416' ' ' LYS . 1.6 t80 -132.81 62.16 60.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 4.33 111.034 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 415' ' ' PRO . . . . . 0.501 ' CB ' ' OE1' ' A' ' 399' ' ' GLN . 18.4 Cg_endo -74.97 85.8 1.48 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.481 1.779 . . . . 3.29 110.994 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 416' ' ' LYS . . . . . 0.575 ' HB2' ' CE2' ' A' ' 400' ' ' TYR . 41.4 mmtt -101.14 -170.91 1.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 4.21 109.353 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.11 138.94 51.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 2.35 109.253 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.751 HD11 ' O ' ' A' ' 399' ' ' GLN . 5.0 mt -69.16 -67.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 1.02 109.327 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 5.3 t -39.64 -31.56 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.414 1.071 . . . . 1.29 110.34 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 420' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 418' ' ' ILE . 10.6 mttt -69.58 -60.04 2.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 2.97 109.279 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -58.07 -48.84 78.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 3.6 109.334 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 422' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -120.92 103.36 9.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.524 1.14 . . . . 2.44 111.018 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.38 99.26 12.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.177 . . . . 1.99 110.343 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 163.82 -38.34 0.32 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 1.42 111.015 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 425' ' ' ILE . . . . . 0.674 HG22 ' CZ ' ' A' ' 442' ' ' PHE . 6.7 pt -82.83 -54.0 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.408 0.711 . . . . 2.56 109.291 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 128.65 168.05 12.32 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.12 . . . . 1.32 111.02 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -10.16 21.12 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.533 1.807 . . . . 1.44 111.05 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -125.43 133.74 52.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 3.23 109.245 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 429' ' ' ILE . . . . . 0.598 HD11 ' HB ' ' A' ' 425' ' ' ILE . 6.1 mm -138.34 119.04 16.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.523 1.14 . . . . 2.5 109.292 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.28 -49.91 73.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.433 1.083 . . . . 2.84 109.317 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.742 ' HB1' HG22 ' A' ' 291' ' ' VAL . . . -169.57 158.31 7.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 1.45 109.288 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.679 HG12 ' HB1' ' A' ' 382' ' ' ALA . 3.8 p -159.02 153.69 5.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 2.22 109.318 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 433' ' ' PHE . . . . . 0.535 ' HD2' HG23 ' A' ' 291' ' ' VAL . 7.9 p90 -153.27 174.6 14.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 3.23 111.04 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -103.42 134.96 45.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 4.24 110.988 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 435' ' ' SER . . . . . 0.633 ' CB ' HG21 ' A' ' 293' ' ' THR . 4.9 p -156.06 148.69 23.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 3.22 110.0 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 436' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 435' ' ' SER . 0.6 OUTLIER 82.78 -128.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 4.87 109.326 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -102.98 -49.43 3.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 5.02 109.28 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.87 34.3 0.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 4.38 109.336 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 439' ' ' TYR . . . . . 0.401 ' CD2' ' OD1' ' A' ' 452' ' ' ASP . 56.0 m-85 -100.26 132.16 45.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.599 1.187 . . . . 3.85 111.04 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -110.78 113.62 26.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.475 1.109 . . . . 3.35 110.969 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 441' ' ' TYR . . . . . 0.455 ' HB2' ' CE1' ' A' ' 433' ' ' PHE . 8.7 m-85 -102.14 85.51 2.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 3.12 110.964 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 442' ' ' PHE . . . . . 0.674 ' CZ ' HG22 ' A' ' 425' ' ' ILE . 40.4 p90 -104.15 165.41 11.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 5.64 110.975 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 443' ' ' PHE . . . . . 0.554 ' CE2' ' CG ' ' A' ' 448' ' ' GLN . 39.1 m-85 -127.64 121.64 31.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 4.72 110.962 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -113.61 78.47 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 3.41 110.297 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 88.44 -130.84 10.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.115 . . . . 2.29 110.982 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 10.8 p -95.42 36.51 1.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.769 . . . . 1.99 109.965 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 447' ' ' ASN . . . . . 0.447 ' N ' ' ND2' ' A' ' 447' ' ' ASN . 0.1 OUTLIER -143.78 136.48 27.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.135 . . . . 2.34 109.259 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 448' ' ' GLN . . . . . 0.554 ' CG ' ' CE2' ' A' ' 443' ' ' PHE . 0.8 OUTLIER -105.87 95.0 5.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 2.84 110.308 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 449' ' ' PHE . . . . . 0.633 ' CE2' ' CG2' ' A' ' 461' ' ' THR . 38.0 m-85 -95.39 143.51 26.68 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.436 1.085 . . . . 2.51 111.029 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 0.505 ' O ' HG23 ' A' ' 458' ' ' ILE . 5.3 tm-20 -120.1 123.62 43.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.543 1.152 . . . . 4.32 110.259 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 451' ' ' TYR . . . . . 0.401 ' CD1' HG23 ' A' ' 425' ' ' ILE . 2.8 t80 -100.9 160.12 14.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 2.87 111.033 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 452' ' ' ASP . . . . . 0.401 ' OD1' ' CD2' ' A' ' 439' ' ' TYR . 43.2 m-20 -152.5 155.01 36.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 4.8 109.275 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 453' ' ' PHE . . . . . 0.542 ' O ' ' CD1' ' A' ' 453' ' ' PHE . 39.0 t80 -83.71 -0.69 51.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 4.19 110.959 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 40.2 tp -43.65 -55.34 4.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.395 1.06 . . . . 3.27 109.296 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -148.74 22.06 1.01 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.089 . . . . 2.7 109.224 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 63.26 42.56 6.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 3.51 110.239 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -143.92 158.55 43.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 4.38 110.319 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 458' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 450' ' ' GLU . 3.6 mt -79.49 142.92 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 2.38 109.326 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 41.9 p -96.61 -54.43 3.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 4.02 110.386 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.62 154.3 26.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 4.47 109.267 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 461' ' ' THR . . . . . 0.633 ' CG2' ' CE2' ' A' ' 449' ' ' PHE . 2.3 m -153.46 95.35 1.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 2.8 110.391 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -118.29 179.43 4.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 2.39 109.25 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -93.89 166.23 12.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 3.03 109.33 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 98.5 p -64.14 -51.29 64.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 2.49 110.031 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 465' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 470' ' ' CYS . 75.0 m-20 -90.74 50.11 1.76 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 3.64 109.264 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 44.1 t -116.77 -4.17 11.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 3.65 109.977 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -113.92 -59.5 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 5.16 108.064 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 468' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 470' ' ' CYS . 0.3 OUTLIER -38.55 -35.75 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.572 1.17 . . . . 7.11 111.031 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 111.89 39.73 1.26 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.54 1.15 . . . . 2.78 111.04 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 470' ' ' CYS . . . . . 0.567 ' HB2' ' CD1' ' A' ' 468' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 N-CA-C 108.274 -1.01 . . . . 5.06 108.274 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 471' ' ' ' CA' . . . . . 0.98 'CA ' ' O ' ' A' ' 289' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 281' ' ' LEU . . . . . 0.807 HD13 ' CE2' ' A' ' 468' ' ' PHE . 1.3 mt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.262 -0.644 . . . . 3.7599999999999998 109.262 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 282' ' ' CYS . . . . . 1.283 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 83.3 m -84.16 52.75 2.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 3.77 108.252 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -179.04 119.54 0.23 Allowed Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 4.6600000000000001 109.316 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 91.39 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.5 1.789 . . . . 2.6299999999999999 111.0 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 285' ' ' ASN . . . . . 0.449 HD22 ' N ' ' A' ' 285' ' ' ASN . 0.1 OUTLIER 177.68 42.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 3.77 109.321 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 286' ' ' LEU . . . . . 0.575 ' C ' HD23 ' A' ' 286' ' ' LEU . 1.0 OUTLIER -112.17 151.44 29.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 3.2999999999999998 109.355 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 22.7 p -145.28 160.14 41.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 1.75 110.046 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 288' ' ' PHE . . . . . 0.426 ' CZ ' HD21 ' A' ' 286' ' ' LEU . 20.0 m-85 -122.72 176.25 6.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 2.0699999999999998 110.984 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.27 -56.1 2.18 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.495 1.122 . . . . 2.29 109.307 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -146.08 159.43 43.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.81000000000000005 109.278 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 291' ' ' VAL . . . . . . . . . . . . . 87.0 t -150.3 136.98 12.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 2.2000000000000002 109.302 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . 0.525 ' HB ' ' HB1' ' A' ' 335' ' ' ALA . 11.4 t -127.63 179.04 5.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.3500000000000001 110.339 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 12.2 p -140.37 141.48 35.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 2.8399999999999999 110.421 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 59.4 t -136.05 124.67 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 1.8400000000000001 109.253 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 56.13 -93.2 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.528 1.143 . . . . 2.1400000000000001 111.041 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 -139.03 28.85 2.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.444 0.732 . . . . 3.8799999999999999 109.312 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.532 ' HA ' HG21 ' A' ' 310' ' ' VAL . 20.8 mtmt -124.43 154.71 40.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 2.3500000000000001 109.303 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 298' ' ' ILE . . . . . 0.732 ' H ' HG11 ' A' ' 310' ' ' VAL . 6.6 pt -122.97 121.69 63.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 2.0099999999999998 109.24 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 299' ' ' PHE . . . . . 0.616 ' CE2' HD21 ' A' ' 308' ' ' LEU . 16.1 m-85 -110.54 134.52 52.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 2.7999999999999998 111.029 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 300' ' ' PHE . . . . . 0.586 ' CZ ' HD12 ' A' ' 298' ' ' ILE . 65.5 m-85 -111.88 134.69 53.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 2.52 111.019 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 301' ' ' PHE . . . . . 0.633 ' CE2' HD13 ' A' ' 332' ' ' ILE . 9.7 m-85 -99.13 138.11 36.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.174 . . . . 2.3500000000000001 110.956 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 302' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 305' ' ' PHE . 0.6 OUTLIER -135.87 94.53 3.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 2.8700000000000001 109.275 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 55.69 -91.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 3.6200000000000001 109.299 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 304' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 302' ' ' LYS . 0.0 OUTLIER -116.27 -18.51 10.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 5.0700000000000003 110.308 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 305' ' ' PHE . . . . . 0.45 ' O ' ' N ' ' A' ' 302' ' ' LYS . 96.7 m-85 -100.07 148.31 24.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 2.71 111.003 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 306' ' ' PHE . . . . . 0.53 ' C ' ' CD1' ' A' ' 306' ' ' PHE . 3.7 p90 -116.26 158.58 23.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 1.8400000000000001 110.981 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 307' ' ' TRP . . . . . 0.538 ' CZ3' HD11 ' A' ' 286' ' ' LEU . 0.0 OUTLIER -110.54 162.9 14.25 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.979 -1.119 . . . . 4.4100000000000001 107.979 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . 0.616 HD21 ' CE2' ' A' ' 299' ' ' PHE . 0.2 OUTLIER -154.87 116.92 4.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 1.6499999999999999 109.294 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 309' ' ' LYS . . . . . 0.446 ' CB ' HG22 ' A' ' 316' ' ' THR . 0.0 OUTLIER -168.25 89.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 2.5800000000000001 109.246 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 310' ' ' VAL . . . . . 0.732 HG11 ' H ' ' A' ' 298' ' ' ILE . 4.2 p -160.54 167.27 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 2.1699999999999999 109.288 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 311' ' ' SER . . . . . 0.533 ' N ' HG22 ' A' ' 310' ' ' VAL . 28.6 t 64.31 -85.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.384 1.053 . . . . 3.8199999999999998 110.039 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -131.71 71.17 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 4.5999999999999996 110.31 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 313' ' ' ARG . . . . . 0.403 ' CB ' ' HA ' ' A' ' 309' ' ' LYS . 1.7 mpt_? -139.68 106.11 6.98 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 4.3799999999999999 110.295 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -24.63 12.48 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.485 1.781 . . . . 2.8100000000000001 111.03 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.08 158.42 44.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 4.8300000000000001 109.265 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . 0.446 HG22 ' CB ' ' A' ' 309' ' ' LYS . 7.8 p -93.98 167.3 11.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 1.24 110.461 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 74.3 m -140.98 126.0 18.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 2.4300000000000002 109.959 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 98.4 t -93.94 106.46 18.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 2.3799999999999999 109.324 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 319' ' ' ASN . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 306' ' ' PHE . 1.4 m120 -121.84 166.87 13.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 1.98 109.26 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.11 144.6 28.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 2.0099999999999998 109.315 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 321' ' ' ILE . . . . . 0.403 ' C ' ' N ' ' A' ' 323' ' ' SER . 33.0 mt -69.22 -66.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 1.1299999999999999 109.298 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 49.0 m -41.3 -28.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 2.1699999999999999 109.972 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 323' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 321' ' ' ILE . 0.6 OUTLIER -48.71 -39.36 24.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 2.5800000000000001 110.031 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.08 -74.0 0.67 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 1.8799999999999999 109.281 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 325' ' ' TRP . . . . . 0.402 ' HB3' ' CB ' ' A' ' 328' ' ' LEU . 0.0 OUTLIER -56.86 112.19 4.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 1.77 108.029 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -83.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.599 1.842 . . . . 1.5700000000000001 111.061 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 327' ' ' THR . . . . . 0.63 HG22 ' O ' ' A' ' 327' ' ' THR . 2.9 m -70.12 61.67 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 3.1099999999999999 110.349 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 328' ' ' LEU . . . . . 0.87 HD13 ' HD2' ' A' ' 329' ' ' PRO . 0.3 OUTLIER -141.44 130.38 12.44 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 2.4500000000000002 109.284 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 329' ' ' PRO . . . . . 0.87 ' HD2' HD13 ' A' ' 328' ' ' LEU . 18.4 Cg_endo -74.95 172.12 16.98 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.521 1.801 . . . . 2.02 111.077 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.02 150.2 32.3 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.543 1.152 . . . . 2.3599999999999999 110.054 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 85.5 42.48 6.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 1.45 110.97 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.633 HD13 ' CE2' ' A' ' 301' ' ' PHE . 10.6 mt -49.83 137.57 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.489 0.758 . . . . 1.6299999999999999 109.295 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.14 -52.1 5.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 3.71 110.365 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -143.76 129.02 18.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.78000000000000003 109.314 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . 0.525 ' HB1' ' HB ' ' A' ' 292' ' ' THR . . . -117.31 126.11 52.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.84999999999999998 109.277 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 336' ' ' TYR . . . . . 0.517 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 10.5 p90 -151.75 126.54 9.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 3.2999999999999998 110.979 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -89.37 175.16 7.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 5.1399999999999997 110.293 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 338' ' ' ILE . . . . . 0.569 HG23 ' O ' ' A' ' 338' ' ' ILE . 0.5 OUTLIER -133.15 96.31 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 3.1899999999999999 109.284 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -70.75 75.83 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.588 1.18 . . . . 3.7400000000000002 110.29 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -155.58 -58.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 1.75 109.313 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -109.24 8.02 25.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 5.7300000000000004 110.324 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 47.0 t30 59.4 66.35 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 2.1099999999999999 109.253 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . 0.419 ' CG ' ' O ' ' A' ' 355' ' ' ILE . 0.0 OUTLIER -128.81 179.73 5.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 2.4199999999999999 110.253 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 344' ' ' VAL . . . . . 0.462 ' HB ' ' CG2' ' A' ' 355' ' ' ILE . 3.2 t -149.71 150.71 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.3899999999999999 109.316 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 345' ' ' PHE . . . . . 0.517 ' C ' HD22 ' A' ' 346' ' ' LEU . 35.4 m-85 -134.21 133.32 40.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 2.5499999999999998 111.011 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.517 HD22 ' C ' ' A' ' 345' ' ' PHE . 3.8 mm? -123.72 119.86 31.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 1.3999999999999999 109.277 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -96.1 140.17 31.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 2.7000000000000002 110.97 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 348' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.82 119.32 2.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 3.0899999999999999 109.304 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 4.7 t0 57.23 -150.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 3.4399999999999999 109.36 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 350' ' ' ASP . . . . . 0.553 ' OD1' HD11 ' A' ' 368' ' ' ILE . 2.0 t0 -87.91 42.17 1.04 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 3.2200000000000002 109.294 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.482 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 34.8 mtmt -155.99 154.79 31.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 1.74 109.253 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 352' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 366' ' ' LYS . 39.9 p90 -142.12 147.13 36.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 2.7400000000000002 110.995 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 353' ' ' TRP . . . . . 0.558 ' CZ3' ' HG3' ' A' ' 329' ' ' PRO . 3.3 m-90 -104.63 163.39 12.52 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.001 -1.111 . . . . 3.98 108.001 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 354' ' ' LEU . . . . . 0.49 HD23 ' HG3' ' A' ' 361' ' ' GLU . 0.3 OUTLIER -125.68 103.96 8.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 2.75 109.298 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.539 ' N ' ' CD1' ' A' ' 355' ' ' ILE . 1.2 mp -72.88 122.86 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 1.6899999999999999 109.28 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 42.2 t -132.62 118.76 19.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 1.46 110.054 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 60.06 47.59 9.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.531 1.144 . . . . 3.4900000000000002 109.258 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 56.59 43.24 25.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 4.6500000000000004 109.317 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -162.73 120.19 1.28 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 5.4500000000000002 110.324 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 360' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 361' ' ' GLU . 18.3 Cg_endo -74.94 117.8 5.05 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.553 1.818 . . . . 1.99 111.031 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 361' ' ' GLU . . . . . 0.49 ' HG3' HD23 ' A' ' 354' ' ' LEU . 5.0 mm-40 -36.41 124.74 0.74 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 2.8500000000000001 110.298 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 136.5 20.59 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.57 1.826 . . . . 2.6600000000000001 111.0 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 363' ' ' ASN . . . . . 0.438 ' C ' ' HD3' ' A' ' 365' ' ' PRO . 3.1 t-20 63.45 61.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 3.4500000000000002 109.242 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 364' ' ' TYR . . . . . 0.524 ' N ' ' HD3' ' A' ' 365' ' ' PRO . 0.2 OUTLIER -132.34 57.9 32.71 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 3.6099999999999999 111.049 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 365' ' ' PRO . . . . . 0.524 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.4 Cg_endo -74.94 53.06 3.2 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.599 1.841 . . . . 1.3100000000000001 110.986 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 366' ' ' LYS . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 352' ' ' TYR . 0.0 OUTLIER -65.83 160.85 22.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 3.0499999999999998 109.333 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 29.3 t -135.5 130.92 35.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 2.3100000000000001 110.0 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 368' ' ' ILE . . . . . 0.553 HD11 ' OD1' ' A' ' 350' ' ' ASP . 3.2 pt -41.87 -42.82 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 1.78 109.245 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 369' ' ' HIS . . . . . 0.4 ' C ' ' N ' ' A' ' 371' ' ' PHE . 23.7 t60 -40.25 -29.82 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 3.7999999999999998 109.608 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 370' ' ' SER . . . . . 0.56 ' O ' ' CG ' ' A' ' 371' ' ' PHE . 50.6 m -47.85 -23.36 0.73 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.443 1.09 . . . . 2.77 109.995 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 371' ' ' PHE . . . . . 0.56 ' CG ' ' O ' ' A' ' 370' ' ' SER . 0.3 OUTLIER 164.68 71.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 6.79 110.979 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 372' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 374' ' ' PRO . . . -174.35 -66.26 0.05 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.533 1.146 . . . . 3.0299999999999998 110.977 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 373' ' ' PHE . . . . . 0.653 ' HA ' HG12 ' A' ' 377' ' ' VAL . 59.8 t80 -34.23 96.3 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.423 0.72 . . . . 5.6299999999999999 111.03 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 374' ' ' PRO . . . . . 0.544 ' HG2' ' CH2' ' A' ' 401' ' ' TRP . 18.2 Cg_endo -75.06 -76.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.506 1.793 . . . . 2.29 110.964 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -96.8 -78.8 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 4.9000000000000004 109.278 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 376' ' ' PHE . . . . . 0.558 ' HA ' ' CZ ' ' A' ' 373' ' ' PHE . 14.2 m-85 -144.7 58.33 1.31 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 6.5499999999999998 110.996 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 377' ' ' VAL . . . . . 0.653 HG12 ' HA ' ' A' ' 373' ' ' PHE . 0.8 OUTLIER -88.96 162.28 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 2.0099999999999998 109.298 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.75 -38.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.601 1.188 . . . . 3.5 109.325 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -118.08 116.01 26.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 2.6000000000000001 109.26 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 380' ' ' ILE . . . . . 0.443 ' CG2' ' N ' ' A' ' 381' ' ' ASP . 83.0 mt -101.76 163.01 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 1.4399999999999999 109.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 381' ' ' ASP . . . . . 0.443 ' N ' ' CG2' ' A' ' 380' ' ' ILE . 0.7 OUTLIER -92.45 -51.81 4.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 1.8600000000000001 109.254 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 382' ' ' ALA . . . . . 1.026 ' HB1' HG12 ' A' ' 432' ' ' VAL . . . -159.85 168.09 26.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.62 1.2 . . . . 0.62 109.263 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -156.92 130.32 8.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.79000000000000004 109.295 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . 0.426 HG13 ' CE2' ' A' ' 393' ' ' TYR . 4.0 p -136.29 158.89 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 2.0800000000000001 109.31 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 385' ' ' PHE . . . . . 0.457 ' C ' ' CD1' ' A' ' 385' ' ' PHE . 2.1 t80 -118.67 127.92 54.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 1.97 110.968 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 386' ' ' ASN . . . . . 0.44 ' HB3' ' CB ' ' A' ' 389' ' ' PHE . 0.2 OUTLIER -91.63 122.63 65.39 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 2.1400000000000001 109.269 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -30.21 7.39 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.503 1.791 . . . . 1.6200000000000001 111.018 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 1.8 tpt85 -91.7 28.36 1.79 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 3.2799999999999998 110.28 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 389' ' ' PHE . . . . . 0.557 ' C ' ' CG ' ' A' ' 390' ' ' TYR . 0.8 OUTLIER -151.3 -38.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 3.3900000000000001 111.026 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 390' ' ' TYR . . . . . 0.557 ' CG ' ' C ' ' A' ' 389' ' ' PHE . 4.4 m-85 74.08 31.93 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 2.7000000000000002 110.972 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 391' ' ' ARG . . . . . 0.409 ' HD2' ' CD ' ' A' ' 402' ' ' ARG . 18.1 mtt180 -136.88 146.75 45.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 3.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 392' ' ' THR . . . . . 0.525 HG22 ' HE1' ' A' ' 394' ' ' PHE . 27.1 m -117.99 126.7 52.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 1.1499999999999999 110.397 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . 0.458 ' C ' ' CD1' ' A' ' 394' ' ' PHE . 1.0 OUTLIER -119.96 157.14 29.43 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.533 1.145 . . . . 3.7999999999999998 110.963 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 394' ' ' PHE . . . . . 0.525 ' HE1' HG22 ' A' ' 392' ' ' THR . 1.0 OUTLIER -134.19 170.01 16.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 2.3100000000000001 111.01 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -120.01 129.71 54.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 1.8100000000000001 111.03 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 396' ' ' VAL . . . . . 0.418 ' O ' ' CB ' ' A' ' 397' ' ' ASP . 10.2 t -114.62 74.2 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 1.9199999999999999 109.318 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 397' ' ' ASP . . . . . 0.418 ' CB ' ' O ' ' A' ' 396' ' ' VAL . 0.8 OUTLIER 75.96 -65.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 4.9900000000000002 109.289 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . 0.413 HD21 HD11 ' A' ' 417' ' ' LEU . 28.7 t-20 -151.43 50.78 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 3.4199999999999999 109.331 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -140.5 148.47 41.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 2.3199999999999998 110.339 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 400' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 400' ' ' TYR . 1.1 t80 -119.3 101.36 7.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 2.5899999999999999 111.014 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 401' ' ' TRP . . . . . 0.544 ' CH2' ' HG2' ' A' ' 374' ' ' PRO . 46.8 m0 -98.64 164.67 12.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 4.6600000000000001 108.025 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 402' ' ' ARG . . . . . 0.409 ' CD ' ' HD2' ' A' ' 391' ' ' ARG . 0.0 OUTLIER -153.59 111.83 3.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 3.0 110.253 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 403' ' ' TYR . . . . . 0.48 ' CD2' ' HB3' ' A' ' 410' ' ' MET . 4.4 t80 -100.19 121.28 41.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 5.2000000000000002 110.977 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.78 124.97 24.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 2.1400000000000001 109.304 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -89.24 -47.42 8.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 3.0800000000000001 110.334 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -55.0 35.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 6.0700000000000003 110.264 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 407' ' ' ARG . . . . . 0.451 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.0 OUTLIER -67.7 -41.92 82.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 3.23 110.26 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . 0.451 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 0.0 OUTLIER 83.09 29.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 3.2000000000000002 110.297 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 3.1 tpt -135.95 109.03 7.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 2.1899999999999999 111.034 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 410' ' ' MET . . . . . 0.48 ' HB3' ' CD2' ' A' ' 403' ' ' TYR . 0.0 OUTLIER -64.21 146.04 54.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 2.0299999999999998 111.012 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.64 160.55 72.21 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 2.5800000000000001 109.28 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 85.62 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.544 1.812 . . . . 2.8599999999999999 110.923 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 72.47 -73.13 0.95 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.448 1.092 . . . . 4.8399999999999999 111.049 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 414' ' ' TYR . . . . . 0.532 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 2.7 t80 61.16 63.45 2.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 1.96 110.994 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 415' ' ' PRO . . . . . 0.409 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.5 Cg_endo -74.94 66.84 5.96 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.529 1.805 . . . . 1.6599999999999999 111.067 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . 0.532 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 24.9 mmtt -86.22 -176.35 5.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 2.4100000000000001 109.309 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 417' ' ' LEU . . . . . 0.539 HD12 HG22 ' A' ' 419' ' ' THR . 0.4 OUTLIER -126.76 136.23 52.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 2.8300000000000001 109.266 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 418' ' ' ILE . . . . . 0.792 HG22 HD11 ' A' ' 425' ' ' ILE . 3.8 mt -69.49 -71.35 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 1.3100000000000001 109.294 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 419' ' ' THR . . . . . 0.539 HG22 HD12 ' A' ' 417' ' ' LEU . 15.0 t -38.07 -29.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.1000000000000001 110.395 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 418' ' ' ILE . 26.1 mttt -69.22 -69.47 0.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 1.5700000000000001 109.263 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -48.29 -51.0 27.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 2.6200000000000001 109.239 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 422' ' ' PHE . . . . . 0.486 ' CE2' ' CD1' ' A' ' 451' ' ' TYR . 2.6 m-85 -119.16 102.54 8.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.45 1.094 . . . . 3.3500000000000001 110.982 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -89.92 112.92 24.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 2.1699999999999999 110.34 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 150.49 -31.06 1.04 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.574 1.172 . . . . 1.3899999999999999 110.958 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 425' ' ' ILE . . . . . 0.792 HD11 HG22 ' A' ' 418' ' ' ILE . 8.4 pt -82.64 -55.57 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 2.0899999999999999 109.241 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 426' ' ' GLY . . . . . 0.436 ' N ' ' CG1' ' A' ' 425' ' ' ILE . . . 132.37 167.46 11.8 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.548 1.155 . . . . 1.01 111.0 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . 0.405 ' CA ' ' HB ' ' A' ' 419' ' ' THR . 18.2 Cg_endo -74.98 -16.65 20.14 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.454 1.765 . . . . 1.27 110.977 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.807 ' C ' HD12 ' A' ' 429' ' ' ILE . 0.0 OUTLIER -121.53 131.15 53.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 4.8600000000000003 109.286 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 429' ' ' ILE . . . . . 0.807 HD12 ' C ' ' A' ' 428' ' ' LYS . 1.9 mp -130.86 125.39 58.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 2.9300000000000002 109.307 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.65 -86.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 2.0600000000000001 109.297 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -106.97 150.64 26.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 1.01 109.333 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 1.026 HG12 ' HB1' ' A' ' 382' ' ' ALA . 4.1 p -146.99 126.33 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 1.8700000000000001 109.357 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 433' ' ' PHE . . . . . 0.461 ' N ' ' CD1' ' A' ' 433' ' ' PHE . 5.8 p90 -147.71 146.53 29.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 3.3199999999999998 110.971 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.27 92.01 7.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 4.3200000000000003 110.966 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 94.2 p -123.19 91.3 3.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 2.77 110.009 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 436' ' ' LYS . . . . . 0.408 ' CB ' ' HB2' ' A' ' 439' ' ' TYR . 0.0 OUTLIER 174.62 -160.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 4.04 109.363 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -103.95 -30.88 10.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 3.8199999999999998 109.243 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.21 49.3 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 3.4100000000000001 109.346 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 439' ' ' TYR . . . . . 0.476 ' CD1' ' OE2' ' A' ' 450' ' ' GLU . 68.7 m-85 -138.74 173.88 11.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 2.5099999999999998 110.971 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -134.77 112.87 11.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 3.4900000000000002 111.013 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 441' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -84.89 110.99 19.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 2.9100000000000001 111.014 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . 0.702 ' CZ ' HG21 ' A' ' 432' ' ' VAL . 5.9 m-85 -121.33 146.92 46.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.608 1.193 . . . . 3.25 111.009 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 443' ' ' PHE . . . . . 0.584 ' C ' ' CD1' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -153.61 147.91 25.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 4.8300000000000001 111.01 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -158.93 102.62 1.66 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.475 1.109 . . . . 3.73 110.265 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 109.12 -91.56 0.66 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.159 . . . . 1.8 110.939 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 17.7 t -151.57 33.08 0.56 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 0.783 . . . . 1.97 110.019 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -137.02 134.59 36.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 2.1699999999999999 109.297 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 448' ' ' GLN . . . . . 0.489 ' O ' HD23 ' A' ' 462' ' ' LEU . 0.0 OUTLIER -107.91 88.12 2.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 2.9300000000000002 110.295 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -87.87 143.62 27.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 2.3399999999999999 111.005 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 0.931 ' O ' HG23 ' A' ' 458' ' ' ILE . 1.7 tt0 -121.31 134.17 55.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.374 1.046 . . . . 2.8999999999999999 110.306 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 451' ' ' TYR . . . . . 0.486 ' CD1' ' CE2' ' A' ' 422' ' ' PHE . 1.5 t80 -105.69 143.75 33.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.581 1.175 . . . . 2.7599999999999998 111.015 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -125.75 111.27 14.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 2.8300000000000001 109.303 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . 0.409 ' O ' ' CD1' ' A' ' 453' ' ' PHE . 19.3 t80 -59.59 -15.69 20.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.411 1.069 . . . . 3.3100000000000001 110.989 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 20.1 tp -42.57 -42.09 3.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 2.54 109.225 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -163.51 29.97 0.09 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 2.1800000000000002 109.357 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 47.77 57.02 6.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 3.2200000000000002 110.322 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.62 135.44 44.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.564 1.165 . . . . 4.4900000000000002 110.273 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 458' ' ' ILE . . . . . 0.931 HG23 ' O ' ' A' ' 450' ' ' GLU . 24.1 mt -100.13 114.38 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 1.5900000000000001 109.317 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 10.2 t -115.65 38.25 3.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 3.04 110.436 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -152.59 109.67 3.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.404 1.065 . . . . 4.1200000000000001 109.353 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 24.2 m -126.04 85.61 2.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 2.1800000000000002 110.396 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 462' ' ' LEU . . . . . 0.909 HD12 ' HB3' ' A' ' 466' ' ' SER . 0.9 OUTLIER -125.91 178.12 5.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 1.8300000000000001 109.333 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.0 173.78 6.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 3.96 109.322 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -32.19 73.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.8100000000000001 110.024 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -104.07 57.42 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 2.8799999999999999 109.304 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . 0.909 ' HB3' HD12 ' A' ' 462' ' ' LEU . 0.1 OUTLIER -116.55 -9.77 11.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.105 . . . . 2.9500000000000002 110.001 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 17.2 m95 -103.31 -44.86 5.05 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.495 1.122 . . . . 3.9399999999999999 108.04 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 468' ' ' PHE . . . . . 0.807 ' CE2' HD13 ' A' ' 281' ' ' LEU . 3.0 t80 -48.82 -47.35 42.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 6.9299999999999997 111.015 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 120.95 55.53 0.23 Allowed Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.458 1.099 . . . . 2.2000000000000002 111.064 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 470' ' ' CYS . . . . . 1.283 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 N-CA-C 108.332 -0.988 . . . . 3.8399999999999999 108.332 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 281' ' ' LEU . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 468' ' ' PHE . 70.2 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.299 -0.63 . . . . 2.96 109.299 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 282' ' ' CYS . . . . . 1.288 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 3.1 t -79.46 57.64 2.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 3.3999999999999999 108.289 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 283' ' ' ASP . . . . . 0.404 ' HB3' ' ND2' ' A' ' 285' ' ' ASN . 9.0 t0 -176.21 109.33 0.25 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 3.4700000000000002 109.33 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 78.09 2.98 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.482 1.78 . . . . 1.97 111.015 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 285' ' ' ASN . . . . . 0.404 ' ND2' ' HB3' ' A' ' 283' ' ' ASP . 1.2 p30 -146.21 36.21 1.01 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 3.1600000000000001 109.25 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 286' ' ' LEU . . . . . 0.589 HD22 ' CZ2' ' A' ' 307' ' ' TRP . 0.2 OUTLIER -113.51 175.03 5.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 3.48 109.315 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 61.8 p -144.62 169.31 18.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 1.53 109.984 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -129.17 152.47 48.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 1.77 110.981 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.35 -52.55 4.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 2.5099999999999998 109.283 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 290' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 332' ' ' ILE . . . -157.43 157.6 34.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.4199999999999999 109.323 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 291' ' ' VAL . . . . . . . . . . . . . 93.3 t -136.95 143.64 34.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 2.3500000000000001 109.329 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . 0.403 ' HB ' ' HB3' ' A' ' 335' ' ' ALA . 12.0 t -145.11 154.32 42.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 1.1499999999999999 110.405 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 4.7 t -111.0 146.74 36.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 2.3100000000000001 110.42 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 90.9 t -139.41 72.41 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.98 109.302 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 98.0 -112.14 4.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 1.6599999999999999 110.972 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -113.68 15.43 18.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.757 . . . . 3.1899999999999999 109.279 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.57 ' HA ' HG21 ' A' ' 310' ' ' VAL . 41.5 mtmt -121.57 152.54 39.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 3.73 109.298 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 298' ' ' ILE . . . . . 0.676 ' H ' HG11 ' A' ' 310' ' ' VAL . 10.6 pt -129.83 125.59 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 2.04 109.287 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 299' ' ' PHE . . . . . 0.546 ' CD1' HD21 ' A' ' 308' ' ' LEU . 7.0 m-85 -106.47 148.75 27.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 3.0699999999999998 111.026 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 300' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -125.86 97.03 4.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 2.8100000000000001 111.028 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 301' ' ' PHE . . . . . 0.559 ' CE1' HG12 ' A' ' 321' ' ' ILE . 24.3 m-85 -84.18 156.6 21.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 2.8100000000000001 111.035 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 302' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 305' ' ' PHE . 0.0 OUTLIER -161.6 70.33 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 3.6800000000000002 109.264 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 3.5 t70 49.14 83.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 3.5899999999999999 109.297 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 304' ' ' ARG . . . . . 0.423 ' HB3' ' CD1' ' A' ' 320' ' ' LEU . 2.8 mmt85 76.06 -54.23 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 6.7199999999999998 110.317 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 305' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 302' ' ' LYS . 38.2 m-85 -79.94 120.33 24.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 4.4699999999999998 110.989 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 306' ' ' PHE . . . . . 0.534 ' CZ ' ' HB2' ' A' ' 319' ' ' ASN . 5.4 p90 -133.94 144.84 49.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 2.04 110.986 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 307' ' ' TRP . . . . . 0.589 ' CZ2' HD22 ' A' ' 286' ' ' LEU . 16.9 m-90 -101.21 157.42 16.79 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.005 -1.109 . . . . 4.6100000000000003 108.005 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . 0.546 HD21 ' CD1' ' A' ' 299' ' ' PHE . 0.3 OUTLIER -141.51 129.37 21.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 2.2999999999999998 109.248 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -165.01 98.26 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 2.1800000000000002 109.254 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 310' ' ' VAL . . . . . 0.676 HG11 ' H ' ' A' ' 298' ' ' ILE . 8.2 p -173.31 167.59 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 2.2400000000000002 109.332 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 311' ' ' SER . . . . . 0.522 ' N ' HG22 ' A' ' 310' ' ' VAL . 33.0 t 67.2 -75.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 4.1399999999999997 109.975 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -165.52 77.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 5.4900000000000002 110.319 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.94 134.33 21.8 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 3.7999999999999998 110.327 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -35.87 2.92 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.461 1.769 . . . . 2.9900000000000002 111.011 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.23 167.54 28.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 3.6699999999999999 109.305 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 15.5 p -87.31 134.38 33.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 2.4100000000000001 110.365 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 2.3 m -126.7 146.94 50.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 3.7400000000000002 109.983 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 10.4 m -100.94 119.9 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 3.0299999999999998 109.311 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 319' ' ' ASN . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 306' ' ' PHE . 1.8 m120 -132.86 179.79 5.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 2.1600000000000001 109.327 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.423 ' CD1' ' HB3' ' A' ' 304' ' ' ARG . 12.1 tp -106.37 132.71 52.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 2.4700000000000002 109.296 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 321' ' ' ILE . . . . . 0.559 HG12 ' CE1' ' A' ' 301' ' ' PHE . 3.6 mt -62.53 -63.31 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 2.3199999999999998 109.296 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 322' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 321' ' ' ILE . 3.3 t -37.61 -33.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 2.2400000000000002 110.045 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 323' ' ' SER . . . . . 0.413 ' N ' ' C ' ' A' ' 321' ' ' ILE . 8.4 t -43.74 -27.46 0.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 1.6599999999999999 109.995 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 2.8 mp -115.12 -63.21 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 1.8100000000000001 109.283 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 325' ' ' TRP . . . . . 0.635 ' HB3' HD23 ' A' ' 328' ' ' LEU . 0.5 OUTLIER -65.36 144.21 98.93 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 2.25 107.999 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 326' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 325' ' ' TRP . 18.3 Cg_endo -75.07 -90.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.481 1.779 . . . . 1.6599999999999999 110.975 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 327' ' ' THR . . . . . 0.876 ' O ' HD22 ' A' ' 328' ' ' LEU . 12.0 t -85.02 86.56 7.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 2.4700000000000002 110.441 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 328' ' ' LEU . . . . . 0.876 HD22 ' O ' ' A' ' 327' ' ' THR . 4.2 mm? -134.8 155.91 78.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 1.3999999999999999 109.272 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 329' ' ' PRO . . . . . 0.417 ' O ' ' CB ' ' A' ' 330' ' ' SER . 18.4 Cg_endo -74.99 -36.17 2.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.553 1.817 . . . . 2.3700000000000001 111.03 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 330' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 329' ' ' PRO . 3.2 m 80.76 -0.05 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 5.0300000000000002 109.973 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -116.12 -42.57 0.7 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.546 1.154 . . . . 3.9199999999999999 110.988 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.659 ' CG2' ' HB2' ' A' ' 335' ' ' ALA . 4.1 mp 42.43 89.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 2.1699999999999999 109.258 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -79.52 -13.89 59.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 2.6600000000000001 110.326 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -168.97 115.84 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 1.02 109.322 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . 0.659 ' HB2' ' CG2' ' A' ' 332' ' ' ILE . . . -129.96 155.59 45.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 1.4199999999999999 109.336 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 336' ' ' TYR . . . . . 0.745 ' CE2' HD11 ' A' ' 338' ' ' ILE . 22.5 p90 -155.34 114.81 3.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 3.1299999999999999 110.991 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -98.02 142.77 29.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 3.98 110.276 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 338' ' ' ILE . . . . . 0.745 HD11 ' CE2' ' A' ' 336' ' ' TYR . 1.4 mp -128.29 130.08 69.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 3.7599999999999998 109.318 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.57 -54.8 14.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 3.5800000000000001 110.26 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -49.5 -58.79 4.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 2.3199999999999998 109.323 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -59.37 -32.81 70.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 3.9199999999999999 110.281 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 342' ' ' ASN . . . . . 0.408 ' C ' ' HG2' ' A' ' 343' ' ' GLN . 9.2 t30 59.8 35.15 22.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 2.9900000000000002 109.321 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . 0.408 ' HG2' ' C ' ' A' ' 342' ' ' ASN . 0.1 OUTLIER -134.97 139.92 45.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 3.1899999999999999 110.338 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 344' ' ' VAL . . . . . 0.477 HG12 HD21 ' A' ' 346' ' ' LEU . 10.6 t -100.65 139.56 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 1.75 109.316 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 345' ' ' PHE . . . . . 0.818 ' C ' HD22 ' A' ' 346' ' ' LEU . 84.3 m-85 -121.44 130.14 53.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 3.6099999999999999 110.988 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 1.058 HD23 HD13 ' A' ' 355' ' ' ILE . 1.5 mm? -128.45 105.96 8.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 2.1699999999999999 109.351 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -99.43 158.44 15.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 3.4700000000000002 110.989 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 348' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -178.53 143.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 3.7999999999999998 109.264 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 51.25 -154.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 4.9699999999999998 109.295 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 350' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -91.62 41.84 1.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 3.8900000000000001 109.322 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -148.67 148.2 29.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 2.1299999999999999 109.308 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 352' ' ' TYR . . . . . 0.437 ' OH ' HG22 ' A' ' 368' ' ' ILE . 20.5 m-85 -110.52 164.0 13.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 6.6699999999999999 110.986 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -155.97 125.75 6.42 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.042 -1.096 . . . . 6.0700000000000003 108.042 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 354' ' ' LEU . . . . . 0.65 ' C ' HD12 ' A' ' 355' ' ' ILE . 0.8 OUTLIER -113.57 165.95 12.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 1.96 109.336 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 1.058 HD13 HD23 ' A' ' 346' ' ' LEU . 1.5 mp -129.52 118.8 46.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 2.1899999999999999 109.316 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 16.6 t -124.63 132.25 53.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 2.5099999999999998 109.975 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 357' ' ' ASN . . . . . 0.672 ' C ' HD23 ' A' ' 358' ' ' LEU . 43.6 m-20 58.79 48.09 11.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 4.3200000000000003 109.309 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 358' ' ' LEU . . . . . 0.672 HD23 ' C ' ' A' ' 357' ' ' ASN . 0.6 OUTLIER 50.91 40.19 24.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 4.3799999999999999 109.315 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -164.53 128.75 1.83 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 4.1799999999999997 110.287 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 360' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 355' ' ' ILE . 18.3 Cg_endo -74.94 169.79 21.83 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.509 1.794 . . . . 1.96 111.003 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.53 167.07 33.45 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 3.04 110.342 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -39.31 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.512 1.796 . . . . 3.2400000000000002 110.972 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 363' ' ' ASN . . . . . 0.422 ' C ' ' HD3' ' A' ' 365' ' ' PRO . 6.2 m-20 -159.19 112.72 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 3.8399999999999999 109.285 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 364' ' ' TYR . . . . . 0.564 ' CE2' HD23 ' A' ' 354' ' ' LEU . 0.3 OUTLIER -132.95 58.16 33.44 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 3.7799999999999998 111.008 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 365' ' ' PRO . . . . . 0.513 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.4 Cg_endo -75.01 62.94 5.96 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.48 1.779 . . . . 1.3100000000000001 110.977 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 366' ' ' LYS . . . . . 0.532 ' HD3' ' CD2' ' A' ' 364' ' ' TYR . 0.1 OUTLIER -65.72 163.1 17.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 2.0899999999999999 109.316 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 367' ' ' SER . . . . . 0.443 ' HG ' ' CE1' ' A' ' 369' ' ' HIS . 0.5 OUTLIER -119.92 127.25 52.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 2.4900000000000002 109.973 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 368' ' ' ILE . . . . . 1.02 HD12 HG13 ' A' ' 377' ' ' VAL . 13.7 pt -65.09 -38.34 82.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 3.7200000000000002 109.282 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 369' ' ' HIS . . . . . 0.443 ' CE1' ' HG ' ' A' ' 367' ' ' SER . 11.2 p-80 -63.86 -34.22 77.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 4.1900000000000004 109.604 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 1.5 m -70.05 -8.9 53.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 3.9100000000000001 110.008 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.97 2.57 53.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 6.29 111.01 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . 129.14 -26.58 4.41 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.486 1.116 . . . . 4.1299999999999999 111.006 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 373' ' ' PHE . . . . . . . . . . . . . 27.9 t80 52.1 92.71 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.509 0.77 . . . . 5.5599999999999996 110.99 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 374' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -162.76 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.789 . . . . 3.3799999999999999 111.053 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -42.38 -57.92 2.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 6.5899999999999999 109.308 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -161.64 102.83 1.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 6.0700000000000003 110.94 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 377' ' ' VAL . . . . . 1.02 HG13 HD12 ' A' ' 368' ' ' ILE . 9.1 p -108.84 152.41 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 2.96 109.33 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.86 -37.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 3.9900000000000002 109.292 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.74 132.99 26.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 1.7 109.256 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 5.0 mt -98.84 146.49 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 1.48 109.302 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.53 -51.08 9.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 2.0699999999999998 109.286 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 382' ' ' ALA . . . . . 0.445 ' CB ' HG12 ' A' ' 432' ' ' VAL . . . -164.37 176.72 8.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.75 109.267 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -164.17 130.54 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.67000000000000004 109.305 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . 0.503 HG12 ' HB2' ' A' ' 393' ' ' TYR . 9.7 p -141.17 159.45 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 2.2400000000000002 109.325 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 385' ' ' PHE . . . . . 0.415 ' CG ' ' N ' ' A' ' 386' ' ' ASN . 81.6 t80 -100.28 165.48 11.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 1.8600000000000001 110.973 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 386' ' ' ASN . . . . . 0.415 ' N ' ' CG ' ' A' ' 385' ' ' PHE . 9.6 t-20 -141.01 105.67 6.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 3.0699999999999998 109.304 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -13.63 21.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.514 1.797 . . . . 1.78 110.971 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.33 -48.39 28.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 1.97 110.34 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.89 6.26 27.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 3.8700000000000001 111.016 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 51.73 34.79 13.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 2.3100000000000001 110.999 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -124.22 161.36 25.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 2.7999999999999998 110.274 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 15.1 m -116.46 130.81 56.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 0.80000000000000004 110.43 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . 0.503 ' HB2' HG12 ' A' ' 384' ' ' VAL . 20.0 m-30 -85.82 142.89 28.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 2.6499999999999999 111.002 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.2 115.39 11.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 3.0600000000000001 110.992 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 395' ' ' PHE . . . . . 0.68 ' CD2' HG21 ' A' ' 429' ' ' ILE . 47.4 m-85 -94.59 120.13 34.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 1.28 111.02 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.24 124.74 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 2.5 109.274 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 51.69 -154.94 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 3.8700000000000001 109.326 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -84.72 49.91 1.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 3.2799999999999998 109.31 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.21 169.38 19.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 2.3599999999999999 110.317 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -126.57 120.31 29.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 2.9700000000000002 111.0 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 3.9 m95 -115.2 163.42 15.68 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.98 -1.119 . . . . 5.3700000000000001 107.98 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -152.1 118.34 5.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 2.7000000000000002 110.317 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -95.83 163.29 13.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 4.8300000000000001 110.998 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.4 123.87 48.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 2.9700000000000002 109.29 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -83.04 -50.81 8.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 2.9399999999999999 110.275 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -66.44 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 6.4699999999999998 110.31 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -39.43 69.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 3.1600000000000001 110.337 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.52 36.45 0.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 2.8500000000000001 110.312 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.71 118.75 13.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 2.5099999999999998 111.008 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -59.88 125.15 22.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 2.8700000000000001 111.004 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.58 137.78 5.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 2.98 109.306 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 412' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 413' ' ' GLY . 18.3 Cg_endo -75.01 105.83 2.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.457 1.767 . . . . 2.6600000000000001 111.023 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 413' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 412' ' ' PRO . . . 50.59 103.4 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.528 1.143 . . . . 2.0699999999999998 111.016 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 414' ' ' TYR . . . . . 0.532 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 3.9 t80 -132.51 63.61 68.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.774 . . . . 2.2599999999999998 110.996 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 415' ' ' PRO . . . . . 0.4 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.5 Cg_endo -74.96 69.95 5.39 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.515 1.798 . . . . 1.54 111.003 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . 0.532 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 5.1 mmtt -89.23 -172.53 3.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 2.5499999999999998 109.309 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.1 mt -134.39 133.16 40.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 2.52 109.307 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 418' ' ' ILE . . . . . 0.574 HG22 HD11 ' A' ' 425' ' ' ILE . 2.5 mt -60.73 -66.97 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.90000000000000002 109.299 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 13.2 t -42.81 -36.09 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 1.05 110.413 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 15.1 mttp -66.19 -65.99 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 1.9299999999999999 109.301 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . 0.588 ' O ' ' CD1' ' A' ' 422' ' ' PHE . 0.7 OUTLIER -47.61 -30.87 3.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 2.4900000000000002 109.26 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 422' ' ' PHE . . . . . 0.644 ' HB2' HD12 ' A' ' 425' ' ' ILE . 28.1 m-85 -152.8 118.24 5.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 2.4399999999999999 111.03 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -94.07 100.36 12.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 2.6400000000000001 110.289 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . 0.422 ' HA3' HD13 ' A' ' 458' ' ' ILE . . . 161.71 -33.69 0.36 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 1.77 111.006 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 425' ' ' ILE . . . . . 0.644 HD12 ' HB2' ' A' ' 422' ' ' PHE . 0.2 OUTLIER -86.41 -19.51 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 2.1899999999999999 109.27 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 89.49 174.52 46.02 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.485 1.115 . . . . 0.78000000000000003 111.006 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -9.9 21.0 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.472 1.775 . . . . 1.22 111.006 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -125.05 134.77 52.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 2.27 109.323 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 429' ' ' ILE . . . . . 0.784 HD11 ' HB3' ' A' ' 442' ' ' PHE . 9.4 tp -125.13 152.02 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 1.53 109.276 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 430' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 443' ' ' PHE . 2.8 t0 -105.14 -60.02 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 2.21 109.305 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -141.15 153.53 45.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.83999999999999997 109.311 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.506 HG11 ' CE1' ' A' ' 395' ' ' PHE . 1.2 p -158.01 138.02 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 1.8300000000000001 109.259 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 433' ' ' PHE . . . . . 0.419 ' N ' ' CD1' ' A' ' 433' ' ' PHE . 3.8 p90 -147.57 167.71 23.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 2.8599999999999999 111.025 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 434' ' ' TYR . . . . . 0.472 ' CD1' ' O ' ' A' ' 439' ' ' TYR . 25.7 t80 -129.31 84.27 2.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 3.7400000000000002 111.0 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.24 -5.38 15.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 2.3900000000000001 109.989 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 436' ' ' LYS . . . . . 0.483 ' HG3' ' CE1' ' A' ' 441' ' ' TYR . 17.3 mmmt -74.05 -167.32 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 3.7000000000000002 109.346 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -97.34 -36.51 10.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 3.6000000000000001 109.29 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -159.98 46.48 0.25 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 4.3099999999999996 109.345 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 439' ' ' TYR . . . . . 0.539 ' CD1' ' OE2' ' A' ' 450' ' ' GLU . 87.8 m-85 -146.9 160.52 42.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 2.23 110.964 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -126.97 116.02 20.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 3.46 111.008 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 441' ' ' TYR . . . . . 0.513 ' CE1' ' HG3' ' A' ' 450' ' ' GLU . 3.3 m-85 -90.49 158.58 16.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 2.3999999999999999 111.03 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . 0.784 ' HB3' HD11 ' A' ' 429' ' ' ILE . 96.0 m-85 -146.44 143.68 29.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 3.3700000000000001 111.008 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 443' ' ' PHE . . . . . 0.644 ' CE2' ' NE2' ' A' ' 448' ' ' GLN . 0.2 OUTLIER -117.78 118.4 31.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 3.75 110.978 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 444' ' ' GLN . . . . . 0.419 ' OE1' ' HA ' ' A' ' 425' ' ' ILE . 0.0 OUTLIER -142.87 105.01 4.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 6.1699999999999999 110.307 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 83.13 -89.41 1.52 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 1.72 110.993 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.8 38.02 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 2.1099999999999999 109.976 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 447' ' ' ASN . . . . . 0.521 ' OD1' ' CD2' ' A' ' 449' ' ' PHE . 16.6 p30 -143.65 133.94 24.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 3.77 109.311 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 448' ' ' GLN . . . . . 0.644 ' NE2' ' CE2' ' A' ' 443' ' ' PHE . 2.1 mt-30 -100.37 113.11 25.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 2.9300000000000002 110.311 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 449' ' ' PHE . . . . . 0.521 ' CD2' ' OD1' ' A' ' 447' ' ' ASN . 20.2 m-85 -104.41 133.33 49.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 2.5699999999999998 110.992 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 0.672 ' O ' HG23 ' A' ' 458' ' ' ILE . 2.4 tt0 -116.23 130.62 56.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 3.0099999999999998 110.305 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -100.41 113.2 25.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 5.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.06 102.74 14.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 4.0899999999999999 109.305 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . 0.418 ' C ' ' N ' ' A' ' 455' ' ' LEU . 19.7 t80 -61.08 -15.2 30.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 3.46 110.988 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 60.5 tp -43.58 -27.48 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 2.1899999999999999 109.308 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.418 ' N ' ' C ' ' A' ' 453' ' ' PHE . 1.0 OUTLIER -175.37 35.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 2.0800000000000001 109.31 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 456' ' ' GLN . . . . . 0.404 ' OE1' ' C ' ' A' ' 455' ' ' LEU . 3.7 mp0 44.12 52.12 7.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 3.2400000000000002 110.318 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -125.89 121.32 32.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 3.5800000000000001 110.28 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 458' ' ' ILE . . . . . 0.672 HG23 ' O ' ' A' ' 450' ' ' GLU . 5.0 mt -95.2 113.87 30.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 2.98 109.302 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 1.8 t -136.72 60.69 1.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 3.1499999999999999 110.381 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 460' ' ' LYS . . . . . 0.403 ' CB ' ' HB3' ' A' ' 450' ' ' GLU . 0.0 OUTLIER -160.13 112.24 2.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 3.1200000000000001 109.265 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 11.3 p -133.68 81.74 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 1.8600000000000001 110.393 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 462' ' ' LEU . . . . . 0.761 HD11 ' CB ' ' A' ' 466' ' ' SER . 23.5 tp -88.23 158.01 18.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 2.8100000000000001 109.296 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 463' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 464' ' ' SER . 0.4 OUTLIER -93.98 134.52 36.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 3.3100000000000001 109.315 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 464' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 463' ' ' LYS . 4.8 t -37.95 -41.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.152 . . . . 1.5700000000000001 110.016 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 26.8 p30 -112.19 72.2 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 2.8999999999999999 109.33 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . 0.761 ' CB ' HD11 ' A' ' 462' ' ' LEU . 67.5 p -109.85 -14.25 14.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 2.79 110.051 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 467' ' ' TRP . . . . . 0.517 ' CZ2' ' CD2' ' A' ' 462' ' ' LEU . 3.5 m-90 -103.91 -53.03 2.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 7.1399999999999997 108.015 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 468' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 281' ' ' LEU . 9.0 t80 -39.98 -47.54 2.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 7.29 110.994 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 119.15 54.96 0.27 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 2.3900000000000001 111.005 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 470' ' ' CYS . . . . . 1.288 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 N-CA-C 108.29 -1.004 . . . . 3.2999999999999998 108.29 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 281' ' ' LEU . . . . . . . . . . . . . 63.1 mt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.321 -0.622 . . . . 3.7999999999999998 109.321 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 282' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -177.8 40.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 3.1400000000000001 108.295 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -174.2 127.06 0.44 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.097 . . . . 3.4700000000000002 109.292 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 73.77 4.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.512 1.796 . . . . 2.2799999999999998 110.982 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -136.1 21.86 3.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 3.1499999999999999 109.278 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.44 157.59 16.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 2.6800000000000002 109.3 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 83.2 p -136.91 153.34 50.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 1.6499999999999999 110.014 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -117.07 164.29 14.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.093 . . . . 1.8799999999999999 110.98 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.5 -62.55 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 2.9900000000000002 109.264 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 290' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 333' ' ' GLU . . . -152.19 145.91 25.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 1.3200000000000001 109.328 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 291' ' ' VAL . . . . . . . . . . . . . 55.5 t -128.48 145.85 34.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 2.6000000000000001 109.305 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . 0.667 HG21 ' CD ' ' A' ' 337' ' ' GLU . 11.6 t -140.06 166.14 25.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 1.72 110.404 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 293' ' ' THR . . . . . 0.587 HG21 ' HB2' ' A' ' 435' ' ' SER . 4.4 t -121.64 129.53 52.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 2.52 110.411 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 294' ' ' VAL . . . . . 0.458 ' O ' HG12 ' A' ' 294' ' ' VAL . 3.5 t -149.82 97.11 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 2.3599999999999999 109.289 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 76.13 43.69 20.53 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 3.3700000000000001 110.968 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 296' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 296' ' ' ASN . 30.5 t30 61.95 25.73 15.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 0.767 . . . . 4.8499999999999996 109.286 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.76 ' HA ' HG21 ' A' ' 310' ' ' VAL . 9.8 mtmt -112.45 131.83 55.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 3.1499999999999999 109.301 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 298' ' ' ILE . . . . . 0.671 HD12 ' HZ ' ' A' ' 300' ' ' PHE . 3.3 pt -107.07 110.91 33.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 2.4399999999999999 109.286 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 299' ' ' PHE . . . . . 0.71 ' CD2' HD21 ' A' ' 308' ' ' LEU . 48.5 m-85 -101.24 117.23 34.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 2.8799999999999999 111.008 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 300' ' ' PHE . . . . . 0.671 ' HZ ' HD12 ' A' ' 298' ' ' ILE . 6.5 m-85 -99.89 93.45 5.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 3.0699999999999998 110.994 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 301' ' ' PHE . . . . . 0.572 ' CE1' ' HB3' ' A' ' 299' ' ' PHE . 19.8 m-85 -83.86 161.52 20.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 3.1899999999999999 111.04 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 302' ' ' LYS . . . . . 0.469 ' O ' ' O ' ' A' ' 305' ' ' PHE . 0.0 OUTLIER -174.85 145.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 3.48 109.303 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 303' ' ' ASP . . . . . 0.422 ' O ' ' HB2' ' A' ' 304' ' ' ARG . 0.5 OUTLIER -43.43 148.92 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 4.0300000000000002 109.261 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 304' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 303' ' ' ASP . 0.0 OUTLIER 71.89 -74.25 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 4.6900000000000004 110.27 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 305' ' ' PHE . . . . . 0.469 ' O ' ' O ' ' A' ' 302' ' ' LYS . 27.5 m-85 -135.08 169.81 16.86 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.462 1.101 . . . . 2.5299999999999998 110.95 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 306' ' ' PHE . . . . . 0.427 ' CD2' HG13 ' A' ' 321' ' ' ILE . 43.1 p90 -127.94 -179.01 4.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 1.8400000000000001 110.936 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 307' ' ' TRP . . . . . . . . . . . . . 7.6 m-90 -128.87 150.54 50.3 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.939 -1.134 . . . . 4.2400000000000002 107.939 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . 0.71 HD21 ' CD2' ' A' ' 299' ' ' PHE . 0.2 OUTLIER -139.39 132.04 28.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 2.4300000000000002 109.302 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 309' ' ' LYS . . . . . 0.428 ' CD ' ' O ' ' A' ' 315' ' ' LYS . 15.4 tptt -156.63 90.18 1.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 2.1499999999999999 109.36 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 310' ' ' VAL . . . . . 0.76 HG21 ' HA ' ' A' ' 297' ' ' LYS . 8.7 p -175.34 176.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 2.2400000000000002 109.282 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 311' ' ' SER . . . . . 0.67 ' H ' HG22 ' A' ' 310' ' ' VAL . 24.2 t 63.94 -98.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 4.3799999999999999 110.026 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -148.02 75.98 1.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.08 . . . . 4.7999999999999998 110.321 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 313' ' ' ARG . . . . . 0.423 ' NE ' ' H ' ' A' ' 313' ' ' ARG . 0.0 OUTLIER -111.31 157.19 39.72 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 9.8300000000000001 110.356 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -53.27 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.777 . . . . 3.4500000000000002 110.977 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 315' ' ' LYS . . . . . 0.547 ' HG2' ' CE2' ' A' ' 468' ' ' PHE . 0.4 OUTLIER -140.57 -77.44 0.3 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 4.2800000000000002 109.266 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . 0.505 HG23 ' C ' ' A' ' 315' ' ' LYS . 40.9 p -156.07 -179.31 8.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 1.6699999999999999 110.421 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.33 144.36 50.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 2.46 109.985 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 3.7 t -139.38 68.39 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.112 . . . . 2.2599999999999998 109.373 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -122.44 175.96 6.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.419 1.075 . . . . 2.8700000000000001 109.242 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.442 ' CD2' ' HB2' ' A' ' 322' ' ' SER . 0.5 OUTLIER -94.92 152.67 18.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 1.79 109.314 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 321' ' ' ILE . . . . . 0.427 HG13 ' CD2' ' A' ' 306' ' ' PHE . 1.1 mp -65.27 -64.31 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 1.1899999999999999 109.329 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 322' ' ' SER . . . . . 0.442 ' HB2' ' CD2' ' A' ' 320' ' ' LEU . 69.7 m -43.67 -29.2 0.48 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 2.0600000000000001 109.997 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 4.8 t -54.69 -40.5 69.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 1.27 110.01 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.47 -83.09 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.085 . . . . 2.1699999999999999 109.34 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 1.5 m0 -50.15 152.28 3.04 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 107.964 -1.124 . . . . 1.6599999999999999 107.964 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -88.42 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.558 1.82 . . . . 1.05 110.993 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 327' ' ' THR . . . . . 0.919 ' O ' HD22 ' A' ' 328' ' ' LEU . 9.7 t -100.22 93.01 5.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 1.3600000000000001 110.394 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 328' ' ' LEU . . . . . 0.919 HD22 ' O ' ' A' ' 327' ' ' THR . 3.4 mm? -136.9 147.02 57.44 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 1.1299999999999999 109.344 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 329' ' ' PRO . . . . . 0.463 ' HD2' ' CD1' ' A' ' 328' ' ' LEU . 18.6 Cg_endo -74.87 157.66 43.18 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.515 1.798 . . . . 2.04 111.077 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.6 140.77 35.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 2.52 109.969 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . 0.402 ' CA ' ' HA ' ' A' ' 303' ' ' ASP . . . 72.27 57.46 5.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 1.22 110.944 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.421 HG21 HD12 ' A' ' 346' ' ' LEU . 50.1 mm -58.27 140.29 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 0.742 . . . . 2.1600000000000001 109.293 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 333' ' ' GLU . . . . . 0.516 ' O ' ' HB2' ' A' ' 290' ' ' ALA . 3.7 mt-10 -89.51 -51.67 5.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 3.4900000000000002 110.29 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 334' ' ' ALA . . . . . 0.432 ' HB3' ' CB ' ' A' ' 347' ' ' PHE . . . -129.82 164.4 24.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 1.3899999999999999 109.289 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -154.81 133.66 12.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 1.05 109.298 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 336' ' ' TYR . . . . . 0.593 ' C ' ' CD1' ' A' ' 336' ' ' TYR . 0.1 OUTLIER -145.14 92.51 2.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 4.3300000000000001 111.004 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 337' ' ' GLU . . . . . 0.667 ' CD ' HG21 ' A' ' 292' ' ' THR . 2.5 mp0 -87.16 164.42 16.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 6.0700000000000003 110.303 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 338' ' ' ILE . . . . . 0.617 HD12 ' HB3' ' A' ' 340' ' ' ALA . 0.2 OUTLIER -154.13 111.42 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 4.8799999999999999 109.37 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -71.81 -38.08 70.28 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.522 1.139 . . . . 4.4299999999999997 110.262 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 340' ' ' ALA . . . . . 0.617 ' HB3' HD12 ' A' ' 338' ' ' ILE . . . -43.38 -35.02 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 2.4100000000000001 109.354 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 341' ' ' ARG . . . . . 0.443 ' HG3' HG21 ' A' ' 338' ' ' ILE . 0.0 OUTLIER -109.38 -19.07 13.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 4.5300000000000002 110.361 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 68.01 44.94 1.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 3.3199999999999998 109.25 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . 0.689 ' NE2' HD21 ' A' ' 354' ' ' LEU . 32.2 mt-30 -114.47 171.23 7.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 2.3500000000000001 110.278 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 344' ' ' VAL . . . . . 0.522 HG12 ' CD2' ' A' ' 346' ' ' LEU . 24.9 t -138.81 106.57 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 1.8999999999999999 109.352 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 345' ' ' PHE . . . . . 0.704 ' C ' HD22 ' A' ' 346' ' ' LEU . 88.6 m-85 -103.99 130.35 51.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 3.8300000000000001 110.937 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.704 HD22 ' C ' ' A' ' 345' ' ' PHE . 3.2 mm? -119.51 163.14 17.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 1.53 109.283 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 347' ' ' PHE . . . . . 0.432 ' CB ' ' HB3' ' A' ' 334' ' ' ALA . 20.9 m-85 -137.34 137.81 39.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 2.4900000000000002 111.035 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 348' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.1 OUTLIER -166.2 125.41 1.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.414 1.071 . . . . 3.3700000000000001 109.298 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.4 t70 53.54 -151.84 0.32 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 3.02 109.341 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 350' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -89.37 41.92 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 4.7000000000000002 109.297 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 348' ' ' LYS . 5.3 mttp -155.19 154.17 31.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.605 1.191 . . . . 1.8799999999999999 109.3 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 352' ' ' TYR . . . . . 0.633 ' HD2' HG23 ' A' ' 368' ' ' ILE . 26.0 p90 -140.0 141.38 36.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 2.5699999999999998 111.028 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -101.99 156.56 17.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 6.0999999999999996 108.012 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 354' ' ' LEU . . . . . 0.689 HD21 ' NE2' ' A' ' 343' ' ' GLN . 2.8 tm? -121.06 131.68 54.42 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 1.093 . . . . 2.8599999999999999 109.268 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.522 ' N ' HD13 ' A' ' 354' ' ' LEU . 3.9 mp -130.62 93.56 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 1.46 109.255 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 86.2 p -98.51 135.22 40.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 1.6799999999999999 110.023 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 357' ' ' ASN . . . . . 0.581 ' O ' HD23 ' A' ' 358' ' ' LEU . 8.6 m120 60.44 43.06 13.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.124 . . . . 2.8300000000000001 109.263 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 358' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 357' ' ' ASN . 0.3 OUTLIER 54.07 36.85 25.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 2.9199999999999999 109.292 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 10.3 mmm-85 -149.2 129.32 6.66 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 4.0199999999999996 110.319 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 360' ' ' PRO . . . . . 0.446 ' HA ' ' O ' ' A' ' 354' ' ' LEU . 18.2 Cg_endo -75.03 165.35 31.46 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.459 1.768 . . . . 1.6100000000000001 110.998 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 361' ' ' GLU . . . . . 0.603 ' OE2' ' CE1' ' A' ' 364' ' ' TYR . 0.7 OUTLIER -81.15 165.49 44.5 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 3.0600000000000001 110.255 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 362' ' ' PRO . . . . . 0.54 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.2 Cg_endo -75.02 56.03 4.14 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.457 1.767 . . . . 2.3999999999999999 110.972 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 363' ' ' ASN . . . . . 0.54 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 1.7 m-20 84.96 102.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 4.3799999999999999 109.221 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 364' ' ' TYR . . . . . 0.603 ' CE1' ' OE2' ' A' ' 361' ' ' GLU . 0.1 OUTLIER -127.77 65.97 69.35 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 3.0499999999999998 111.011 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 365' ' ' PRO . . . . . 0.424 ' HD3' ' C ' ' A' ' 363' ' ' ASN . 18.2 Cg_endo -75.05 56.97 4.45 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.484 1.781 . . . . 1.2 111.013 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 366' ' ' LYS . . . . . 0.562 ' HE3' ' CE1' ' A' ' 364' ' ' TYR . 0.8 OUTLIER -83.64 -179.49 7.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 1.75 109.308 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 2.2 m -148.7 137.85 21.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 1.9199999999999999 110.015 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 368' ' ' ILE . . . . . 0.633 HG23 ' HD2' ' A' ' 352' ' ' TYR . 27.5 pt -59.92 -17.8 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 1.96 109.324 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 369' ' ' HIS . . . . . 0.472 ' CA ' ' HB2' ' A' ' 373' ' ' PHE . 0.1 OUTLIER -60.52 -35.19 75.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 2.8500000000000001 109.628 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 18.3 t -64.19 -10.55 23.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 2.4700000000000002 110.014 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -96.12 33.47 1.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 5.7800000000000002 110.98 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . 112.09 -43.25 1.76 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 3.5899999999999999 110.975 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 373' ' ' PHE . . . . . 0.472 ' HB2' ' CA ' ' A' ' 369' ' ' HIS . 0.8 OUTLIER 54.71 95.67 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.535 0.785 . . . . 4.79 111.046 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 374' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -163.94 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.56 1.821 . . . . 2.3900000000000001 110.994 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 32.5 p30 -116.3 51.22 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 5.1299999999999999 109.272 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 178.09 36.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 7.8499999999999996 110.96 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 377' ' ' VAL . . . . . 0.414 ' O ' ' CB ' ' A' ' 378' ' ' LYS . 2.2 p -117.75 157.44 19.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.526 1.141 . . . . 2.4500000000000002 109.307 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 378' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 377' ' ' VAL . 1.9 mtmt 169.86 -36.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 3.4700000000000002 109.309 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 379' ' ' LYS . . . . . 0.417 ' O ' HG13 ' A' ' 396' ' ' VAL . 3.7 pttt -149.97 127.58 11.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 1.76 109.326 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 380' ' ' ILE . . . . . 0.602 HD11 HD13 ' A' ' 368' ' ' ILE . 9.6 mt -92.71 143.56 11.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 1.03 109.244 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.76 -49.69 7.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 1.8200000000000001 109.368 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -159.04 167.5 29.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.69999999999999996 109.286 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -149.06 120.58 7.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.75 109.332 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . 0.58 ' O ' HG23 ' A' ' 392' ' ' THR . 12.2 p -126.82 154.6 36.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 1.98 109.267 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -102.19 155.76 18.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.8500000000000001 110.98 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -141.96 96.24 6.7 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 2.3999999999999999 109.236 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -11.68 21.48 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.525 1.803 . . . . 1.8899999999999999 110.98 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -75.23 -24.98 57.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 2.1200000000000001 110.291 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.46 4.52 7.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 2.79 110.983 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 54.09 31.15 13.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 2.4300000000000002 111.013 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 391' ' ' ARG . . . . . 0.438 ' NH1' ' OD2' ' A' ' 411' ' ' ASP . 6.4 mtt180 -131.08 165.7 22.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 3.0699999999999998 110.266 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 392' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 384' ' ' VAL . 50.9 m -125.92 132.84 52.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.75 110.342 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . 0.4 ' CE2' ' OH ' ' A' ' 400' ' ' TYR . 6.3 m-85 -80.19 140.81 36.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 1.9099999999999999 110.964 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -128.59 113.37 15.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.414 1.071 . . . . 2.25 111.047 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 395' ' ' PHE . . . . . 0.53 ' CD2' HG21 ' A' ' 429' ' ' ILE . 23.2 m-85 -98.03 120.06 37.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 1.3100000000000001 111.006 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 396' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 379' ' ' LYS . 5.1 t -145.15 130.85 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 1.6399999999999999 109.304 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 1.5 t0 50.49 -153.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 3.29 109.328 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -89.04 49.63 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.591 1.182 . . . . 4.0199999999999996 109.261 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -147.46 159.52 43.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 2.7200000000000002 110.282 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 400' ' ' TYR . . . . . 0.4 ' OH ' ' CE2' ' A' ' 393' ' ' TYR . 2.6 t80 -116.65 109.6 17.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 2.3700000000000001 111.003 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -107.24 154.46 21.2 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 5.46 108.044 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -148.43 125.3 11.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 2.6000000000000001 110.288 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 403' ' ' TYR . . . . . 0.464 ' CD2' ' HB3' ' A' ' 410' ' ' MET . 5.8 m-85 -105.01 167.0 9.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.408 1.068 . . . . 6.7999999999999998 110.975 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.31 128.04 54.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 2.1499999999999999 109.327 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -87.03 -40.87 14.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 2.6400000000000001 110.291 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -64.88 0.79 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 5.6299999999999999 110.388 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -41.93 96.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 3.4700000000000002 110.29 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 77.46 40.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 3.2599999999999998 110.26 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.27 105.22 4.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 2.1499999999999999 110.994 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 410' ' ' MET . . . . . 0.464 ' HB3' ' CD2' ' A' ' 403' ' ' TYR . 0.2 OUTLIER -55.48 133.14 49.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 3.0099999999999998 110.945 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . 0.438 ' OD2' ' NH1' ' A' ' 391' ' ' ARG . 0.2 OUTLIER -51.13 139.87 23.39 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 2.6400000000000001 109.298 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 110.44 3.12 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.525 1.803 . . . . 2.5299999999999998 110.983 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 49.96 101.53 0.01 OUTLIER Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.464 1.102 . . . . 1.9399999999999999 110.952 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 414' ' ' TYR . . . . . 0.558 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 2.0 t80 -133.97 62.84 59.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.481 0.754 . . . . 1.8500000000000001 111.034 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 415' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.1 Cg_endo -75.08 66.64 6.08 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 1.3600000000000001 110.992 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . 0.558 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 15.0 mmtt -84.83 -172.38 4.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 2.2999999999999998 109.304 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.26 132.83 38.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 1.8600000000000001 109.266 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 418' ' ' ILE . . . . . 0.641 ' H ' HD12 ' A' ' 418' ' ' ILE . 3.6 mp -60.64 -73.45 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 1.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 419' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 418' ' ' ILE . 0.7 OUTLIER -38.64 -30.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 1.6000000000000001 110.383 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 418' ' ' ILE . 31.5 mttt -70.36 -58.45 3.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 1.79 109.286 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -59.95 -47.58 85.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 2.6899999999999999 109.281 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 422' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -122.24 101.39 7.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 2.6800000000000002 110.948 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -88.88 115.91 26.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 1.8899999999999999 110.276 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 140.15 -29.42 2.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 1.99 110.968 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 425' ' ' ILE . . . . . 0.509 HD12 HD13 ' A' ' 429' ' ' ILE . 20.2 pt -85.06 -48.57 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 2.3100000000000001 109.298 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 127.82 169.7 12.7 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.112 . . . . 1.1100000000000001 111.079 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . 0.483 ' O ' HD13 ' A' ' 418' ' ' ILE . 18.5 Cg_endo -74.97 -16.08 20.47 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.498 1.789 . . . . 1.3200000000000001 111.056 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.4 134.87 54.7 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 2.3700000000000001 109.305 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 429' ' ' ILE . . . . . 0.904 HD11 ' HB3' ' A' ' 442' ' ' PHE . 5.7 tp -115.41 148.0 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 1.6899999999999999 109.267 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 430' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 443' ' ' PHE . 7.2 t0 -107.01 -63.11 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 2.6899999999999999 109.341 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 431' ' ' ALA . . . . . 0.658 ' HB3' ' HB2' ' A' ' 443' ' ' PHE . . . -131.07 147.89 52.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 1.24 109.253 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.413 ' CG2' HG12 ' A' ' 429' ' ' ILE . 21.3 t -145.75 128.43 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 2.6699999999999999 109.286 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 433' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 441' ' ' TYR . 26.7 p90 -146.45 138.89 25.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 2.8500000000000001 111.064 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -119.68 120.02 35.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 3.2599999999999998 110.982 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 435' ' ' SER . . . . . 0.587 ' HB2' HG21 ' A' ' 293' ' ' THR . 10.9 t -134.3 9.99 3.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 3.5699999999999998 110.005 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 436' ' ' LYS . . . . . 0.469 ' CB ' ' HB2' ' A' ' 439' ' ' TYR . 0.2 OUTLIER -100.41 -154.35 0.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 4.9800000000000004 109.334 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -109.83 -39.44 5.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 4.54 109.265 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 438' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 438' ' ' LYS . 0.3 OUTLIER -147.31 39.37 0.99 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.402 1.064 . . . . 5.7999999999999998 109.369 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 439' ' ' TYR . . . . . 0.469 ' HB2' ' CB ' ' A' ' 436' ' ' LYS . 86.7 m-85 -138.06 147.27 43.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 3.5800000000000001 111.016 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 440' ' ' TYR . . . . . 0.424 ' HB2' ' CE1' ' A' ' 442' ' ' PHE . 7.4 m-85 -128.05 136.48 51.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 3.48 110.942 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 441' ' ' TYR . . . . . 0.553 ' HB3' ' CE2' ' A' ' 433' ' ' PHE . 83.8 m-85 -105.05 130.36 53.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 3.2999999999999998 111.009 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . 0.904 ' HB3' HD11 ' A' ' 429' ' ' ILE . 37.0 m-85 -123.3 149.81 44.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 3.1699999999999999 111.016 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 443' ' ' PHE . . . . . 0.658 ' HB2' ' HB3' ' A' ' 431' ' ' ALA . 1.5 m-85 -123.54 122.08 37.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 4.25 110.969 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 444' ' ' GLN . . . . . 0.44 ' O ' ' ND2' ' A' ' 447' ' ' ASN . 0.0 OUTLIER -126.97 77.58 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 3.7200000000000002 110.313 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 98.11 -113.56 4.76 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.442 1.089 . . . . 2.4900000000000002 111.048 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 67.9 p -111.47 11.44 21.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 2.0899999999999999 109.989 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 447' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 444' ' ' GLN . 0.2 OUTLIER -132.92 133.23 42.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 2.02 109.277 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 448' ' ' GLN . . . . . 0.561 ' HG2' HD23 ' A' ' 462' ' ' LEU . 0.1 OUTLIER -113.5 134.82 54.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 4.0099999999999998 110.247 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 449' ' ' PHE . . . . . 0.463 ' HB2' HG22 ' A' ' 425' ' ' ILE . 92.0 m-85 -108.27 151.19 26.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 2.7599999999999998 110.979 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 0.538 ' OE1' ' CE1' ' A' ' 441' ' ' TYR . 57.2 tt0 -124.13 100.42 6.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 3.04 110.331 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -79.62 119.84 23.12 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.541 1.151 . . . . 3.02 111.035 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.17 158.55 16.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 4.21 109.282 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -90.82 -10.91 41.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 4.0099999999999998 111.009 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 12.2 tp -47.06 -34.97 6.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 3.1899999999999999 109.304 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.476 HD13 ' HB2' ' A' ' 457' ' ' ARG . 0.3 OUTLIER -168.08 32.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 3.1400000000000001 109.242 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 44.3 58.72 3.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 3.0099999999999998 110.326 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 457' ' ' ARG . . . . . 0.476 ' HB2' HD13 ' A' ' 455' ' ' LEU . 2.7 mmm180 -140.96 175.65 9.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.612 1.195 . . . . 4.0199999999999996 110.277 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 458' ' ' ILE . . . . . 0.463 HG21 ' HD2' ' A' ' 449' ' ' PHE . 11.4 mt -110.29 121.57 63.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 1.8500000000000001 109.291 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 13.6 t -110.79 -19.81 12.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 2.3799999999999999 110.452 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 460' ' ' LYS . . . . . 0.521 ' O ' HG23 ' A' ' 461' ' ' THR . 0.0 OUTLIER -112.37 134.48 53.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 4.8799999999999999 109.33 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 461' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 460' ' ' LYS . 4.0 p -155.12 87.07 1.11 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.529 1.143 . . . . 2.4900000000000002 110.354 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 462' ' ' LEU . . . . . 0.561 HD23 ' HG2' ' A' ' 448' ' ' GLN . 0.0 OUTLIER -105.63 150.82 25.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 2.9900000000000002 109.27 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 31.5 mtpt -95.48 159.98 14.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.588 1.18 . . . . 3.2999999999999998 109.307 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 16.9 t -51.8 -44.59 63.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 2.02 109.991 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -94.08 51.59 1.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 3.1800000000000002 109.305 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . 0.455 ' HB3' HD12 ' A' ' 462' ' ' LEU . 0.2 OUTLIER -128.5 51.75 1.97 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 2.6099999999999999 110.04 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -177.89 -40.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 4.5800000000000001 108.013 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 468' ' ' PHE . . . . . 0.567 ' C ' ' CD1' ' A' ' 468' ' ' PHE . 0.1 OUTLIER -61.08 -28.37 69.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 7.2800000000000002 111.022 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 113.79 42.27 0.87 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.525 1.141 . . . . 2.48 111.024 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 N-CA-C 108.387 -0.968 . . . . 3.5299999999999998 108.387 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 281' ' ' LEU . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 468' ' ' PHE . 15.6 mt . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.31 -0.626 . . . . 2.5899999999999999 109.31 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 282' ' ' CYS . . . . . . . . . . . . . 7.2 t -96.78 57.97 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 2.8300000000000001 108.288 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 283' ' ' ASP . . . . . 0.407 ' HB3' ' ND2' ' A' ' 285' ' ' ASN . 11.6 m-20 -167.7 127.4 1.08 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 3.1800000000000002 109.342 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 81.92 2.12 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.552 1.817 . . . . 1.76 111.023 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 285' ' ' ASN . . . . . 0.447 HD22 ' N ' ' A' ' 285' ' ' ASN . 0.0 OUTLIER -174.93 34.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 2.6699999999999999 109.338 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -101.69 139.34 37.47 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 2.1899999999999999 109.371 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 56.8 p -132.36 151.22 51.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 1.3899999999999999 110.016 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 288' ' ' PHE . . . . . 0.769 ' CE2' ' CD1' ' A' ' 300' ' ' PHE . 16.8 m-85 -119.88 166.05 13.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 2.7999999999999998 110.983 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.0 -62.6 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 2.2599999999999998 109.281 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -127.65 160.61 31.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.87 109.288 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 291' ' ' VAL . . . . . 0.984 HG22 ' HB1' ' A' ' 431' ' ' ALA . 16.9 m -142.85 135.91 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 2.0099999999999998 109.306 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . 0.472 ' OG1' ' HB1' ' A' ' 335' ' ' ALA . 1.6 m -151.72 158.51 43.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 2.1800000000000002 110.36 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 9.4 t -129.08 149.61 50.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 2.4700000000000002 110.43 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 53.0 t -130.94 71.72 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 1.76 109.308 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 94.33 -107.55 3.56 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.575 1.172 . . . . 1.71 111.033 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 296' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 296' ' ' ASN . 2.5 p-10 -108.46 18.21 21.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 0.738 . . . . 4.1600000000000001 109.252 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.713 ' HA ' HG23 ' A' ' 310' ' ' VAL . 0.0 OUTLIER -125.32 153.63 43.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 3.6200000000000001 109.283 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 298' ' ' ILE . . . . . 0.496 ' C ' HD12 ' A' ' 298' ' ' ILE . 2.2 pp -124.1 172.17 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 3.2999999999999998 109.289 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -144.2 125.87 15.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 2.2599999999999998 111.002 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 300' ' ' PHE . . . . . 0.769 ' CD1' ' CE2' ' A' ' 288' ' ' PHE . 4.8 m-85 -109.06 98.52 7.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 2.9500000000000002 110.992 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -80.59 143.15 33.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 2.4300000000000002 110.974 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -111.78 -63.45 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.165 . . . . 3.21 109.291 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -167.54 -60.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 3.6699999999999999 109.252 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.16 -27.99 8.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 6.1299999999999999 110.27 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 305' ' ' PHE . . . . . 0.685 ' CE1' HD12 ' A' ' 320' ' ' LEU . 24.5 m-85 -113.72 161.31 17.67 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 2.9199999999999999 111.043 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 306' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -123.51 135.46 54.05 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.594 1.184 . . . . 1.79 111.021 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 307' ' ' TRP . . . . . 0.488 ' CE2' HG22 ' A' ' 318' ' ' VAL . 1.4 m-90 -90.13 146.97 23.89 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.963 -1.125 . . . . 4.9100000000000001 107.963 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.65 79.31 1.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 1.77 109.312 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -105.26 88.55 2.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 2.02 109.299 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 310' ' ' VAL . . . . . 0.713 HG23 ' HA ' ' A' ' 297' ' ' LYS . 4.9 p -105.65 178.53 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.621 1.2 . . . . 2.77 109.35 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 311' ' ' SER . . . . . 0.69 ' H ' HG22 ' A' ' 310' ' ' VAL . 10.9 t -67.18 139.03 57.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 5.3899999999999997 110.031 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 70.49 41.41 0.98 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 5.6200000000000001 110.298 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -106.31 130.1 23.49 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 4.6299999999999999 110.317 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -36.1 2.71 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.538 1.81 . . . . 2.4500000000000002 111.044 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -156.28 162.72 40.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.093 . . . . 4.21 109.311 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 24.4 p -80.17 144.04 33.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 1.53 110.409 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.19 156.89 18.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 2.0499999999999998 109.986 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 318' ' ' VAL . . . . . 0.506 ' O ' HG12 ' A' ' 318' ' ' VAL . 84.4 t -142.98 65.57 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 1.97 109.293 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -105.32 -179.56 3.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 1.9399999999999999 109.274 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.685 HD12 ' CE1' ' A' ' 305' ' ' PHE . 0.6 OUTLIER -103.69 158.15 16.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 1.8100000000000001 109.232 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 321' ' ' ILE . . . . . . . . . . . . . 4.1 mt -68.26 -72.74 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 1.1000000000000001 109.297 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 62.2 m -41.55 -32.91 0.39 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 2.0899999999999999 110.026 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.39 -46.43 6.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 1.28 109.938 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.94 -76.72 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 1.97 109.281 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 325' ' ' TRP . . . . . 0.467 ' HB3' HD23 ' A' ' 328' ' ' LEU . 0.5 OUTLIER -46.94 148.25 1.96 Allowed Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.519 1.137 . . . . 1.5600000000000001 108.067 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -74.99 -74.22 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.525 1.803 . . . . 1.23 110.996 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 327' ' ' THR . . . . . 0.891 ' O ' HD22 ' A' ' 328' ' ' LEU . 73.9 m -111.66 94.11 4.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 2.8599999999999999 110.468 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 328' ' ' LEU . . . . . 0.891 HD22 ' O ' ' A' ' 327' ' ' THR . 3.2 mm? -137.21 141.24 33.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 1.21 109.309 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 329' ' ' PRO . . . . . 0.431 ' HD2' ' CD1' ' A' ' 328' ' ' LEU . 18.3 Cg_endo -74.96 158.02 42.61 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.533 1.807 . . . . 2.0600000000000001 111.051 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 8.3 p -108.89 152.26 25.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 2.3999999999999999 109.962 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 74.28 45.33 25.2 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.49 1.119 . . . . 1.45 110.991 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.511 ' CD1' HD13 ' A' ' 346' ' ' LEU . 20.5 mt -58.17 129.66 20.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.403 0.707 . . . . 1.6000000000000001 109.339 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.61 -37.72 14.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.383 1.052 . . . . 3.0299999999999998 110.29 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 334' ' ' ALA . . . . . 0.607 ' HB1' ' HA ' ' A' ' 382' ' ' ALA . . . -136.11 157.36 47.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 1.9199999999999999 109.308 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . 0.472 ' HB1' ' OG1' ' A' ' 292' ' ' THR . . . -146.09 108.67 4.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 1.04 109.317 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 336' ' ' TYR . . . . . 0.718 ' HB2' ' HB3' ' A' ' 383' ' ' ALA . 34.9 t80 -103.8 147.03 27.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 3.75 111.014 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -116.36 124.4 49.97 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.442 1.089 . . . . 4.8899999999999997 110.247 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 338' ' ' ILE . . . . . 0.674 HG23 ' O ' ' A' ' 338' ' ' ILE . 3.4 tt -97.96 74.8 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 4.0999999999999996 109.269 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.3 63.99 0.15 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.143 . . . . 3.6699999999999999 110.339 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 340' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 338' ' ' ILE . . . -140.58 -67.46 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 2.3100000000000001 109.255 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 19.5 ptp180 -94.63 10.04 36.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 4.1200000000000001 110.276 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 54.9 t30 61.47 79.12 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.173 . . . . 2.3700000000000001 109.337 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -150.95 162.42 40.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 2.6699999999999999 110.311 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 344' ' ' VAL . . . . . 0.54 ' O ' HG22 ' A' ' 355' ' ' ILE . 87.4 t -117.3 133.42 64.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 1.5 109.31 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 345' ' ' PHE . . . . . 0.447 ' O ' HD23 ' A' ' 346' ' ' LEU . 5.2 m-85 -122.67 141.49 51.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 2.6699999999999999 111.026 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.704 HD12 HD12 ' A' ' 328' ' ' LEU . 85.2 mt -127.35 169.86 13.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.495 1.122 . . . . 2.5 109.282 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 347' ' ' PHE . . . . . 0.499 ' HB2' ' HB3' ' A' ' 334' ' ' ALA . 33.4 m-85 -138.28 143.34 39.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 2.5899999999999999 111.02 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 348' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.1 OUTLIER -163.76 117.54 1.51 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 4.54 109.273 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 5.4 t0 54.45 -150.88 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 3.1299999999999999 109.28 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 350' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 3.9 t70 -87.88 41.34 0.99 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 4.29 109.242 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.419 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 2.7 mtmp? -155.07 152.77 29.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 2.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 352' ' ' TYR . . . . . 0.703 ' HD2' HG23 ' A' ' 368' ' ' ILE . 29.6 p90 -141.25 155.68 45.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 2.6000000000000001 110.999 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 3.5 m-90 -116.65 163.37 16.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 4.2999999999999998 107.973 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 354' ' ' LEU . . . . . 0.41 HD13 ' CE1' ' A' ' 345' ' ' PHE . 0.3 OUTLIER -137.48 135.73 37.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 2.04 109.349 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.54 HG22 ' O ' ' A' ' 344' ' ' VAL . 1.0 OUTLIER -119.54 115.5 47.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 3.6800000000000002 109.292 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 6.3 t -116.16 134.5 54.86 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 1.78 109.989 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 357' ' ' ASN . . . . . 0.752 ' O ' HD23 ' A' ' 358' ' ' LEU . 48.1 m-20 56.38 46.19 21.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 3.4300000000000002 109.242 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 358' ' ' LEU . . . . . 0.752 HD23 ' O ' ' A' ' 357' ' ' ASN . 0.2 OUTLIER 54.12 27.45 7.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 3.3300000000000001 109.33 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 1.8 mmt-85 -143.05 127.46 9.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 3.6600000000000001 110.312 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 360' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 166.26 29.6 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.489 1.784 . . . . 1.8400000000000001 111.009 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -76.07 158.9 81.62 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.586 1.179 . . . . 2.5 110.299 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 362' ' ' PRO . . . . . 0.549 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.4 Cg_endo -74.87 59.75 5.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.468 1.772 . . . . 2.6499999999999999 111.021 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 363' ' ' ASN . . . . . 0.549 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 9.2 m-20 85.73 102.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 4.0899999999999999 109.304 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 364' ' ' TYR . . . . . 0.555 ' CD1' ' CE ' ' A' ' 366' ' ' LYS . 0.0 OUTLIER -128.99 65.99 75.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 3.0800000000000001 111.029 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 54.66 3.68 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.784 . . . . 1.21 111.077 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 366' ' ' LYS . . . . . 0.555 ' CE ' ' CD1' ' A' ' 364' ' ' TYR . 0.3 OUTLIER -79.47 178.22 8.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 2.1699999999999999 109.256 -179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.42 135.57 23.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 2.1099999999999999 109.996 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 368' ' ' ILE . . . . . 0.703 HG23 ' HD2' ' A' ' 352' ' ' TYR . 1.1 pp -61.73 -16.47 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.43 1.081 . . . . 1.99 109.328 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 369' ' ' HIS . . . . . 0.485 ' CA ' ' HB2' ' A' ' 373' ' ' PHE . 0.0 OUTLIER -71.05 -37.56 72.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 2.8700000000000001 109.546 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.59 -9.94 15.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 2.3700000000000001 109.977 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.97 5.21 51.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 6.0199999999999996 111.014 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 372' ' ' GLY . . . . . 0.424 ' O ' ' HB3' ' A' ' 373' ' ' PHE . . . 157.66 -64.79 0.3 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 3.2799999999999998 110.969 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 373' ' ' PHE . . . . . 0.581 ' CZ ' ' HA ' ' A' ' 375' ' ' ASN . 31.6 t80 58.08 95.04 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.54 0.788 . . . . 4.71 111.022 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 374' ' ' PRO . . . . . 0.54 ' HG2' HG13 ' A' ' 377' ' ' VAL . 18.3 Cg_endo -75.02 -1.13 10.83 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 2.7599999999999998 111.009 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 375' ' ' ASN . . . . . 0.581 ' HA ' ' CZ ' ' A' ' 373' ' ' PHE . 1.5 t-20 74.05 45.77 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 6.5999999999999996 109.326 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -159.53 -43.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 5.79 110.945 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 377' ' ' VAL . . . . . 0.54 HG13 ' HG2' ' A' ' 374' ' ' PRO . 34.6 m -48.82 170.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.586 1.179 . . . . 2.8399999999999999 109.331 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 378' ' ' LYS . . . . . 0.453 ' HG2' ' N ' ' A' ' 379' ' ' LYS . 0.0 OUTLIER -177.88 -35.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 5.1799999999999997 109.287 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 379' ' ' LYS . . . . . 0.453 ' N ' ' HG2' ' A' ' 378' ' ' LYS . 0.0 OUTLIER -149.61 132.54 16.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 1.6799999999999999 109.317 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 380' ' ' ILE . . . . . 0.443 HD12 ' CD1' ' A' ' 347' ' ' PHE . 11.9 mt -98.91 143.55 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.96999999999999997 109.287 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 381' ' ' ASP . . . . . 0.509 ' HB3' HG23 ' A' ' 429' ' ' ILE . 4.1 m-20 -81.11 -49.68 10.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 1.97 109.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 382' ' ' ALA . . . . . 0.729 ' HB3' HG12 ' A' ' 432' ' ' VAL . . . -168.1 171.46 9.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 1.3500000000000001 109.294 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 383' ' ' ALA . . . . . 0.718 ' HB3' ' HB2' ' A' ' 336' ' ' TYR . . . -153.53 130.75 11.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.88 109.284 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . 0.641 HG13 HG13 ' A' ' 432' ' ' VAL . 19.0 m -123.38 159.01 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 2.3300000000000001 109.273 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 385' ' ' PHE . . . . . 0.406 ' HB2' ' CE1' ' A' ' 336' ' ' TYR . 20.7 t80 -97.77 153.73 18.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 2.0499999999999998 111.056 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -137.77 93.6 12.15 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 2.5299999999999998 109.308 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -16.72 20.11 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.402 1.738 . . . . 2.04 111.016 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -75.42 -40.33 57.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.396 1.06 . . . . 2.0699999999999998 110.267 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -108.64 13.03 25.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 3.3100000000000001 110.979 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 41.83 51.32 4.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 2.5 110.972 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 -151.6 174.03 13.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.613 1.196 . . . . 3.1899999999999999 110.273 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 392' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 384' ' ' VAL . 18.3 m -131.59 133.78 45.36 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.555 1.159 . . . . 0.80000000000000004 110.386 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . 0.457 ' HB2' HG22 ' A' ' 384' ' ' VAL . 7.2 m-85 -80.42 134.99 36.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 1.8200000000000001 110.997 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 394' ' ' PHE . . . . . 0.501 ' CD1' ' CD1' ' A' ' 403' ' ' TYR . 2.4 m-85 -121.93 105.46 10.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.143 . . . . 2.2599999999999998 110.957 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 395' ' ' PHE . . . . . 0.496 ' CE2' HG11 ' A' ' 432' ' ' VAL . 81.6 m-85 -89.52 116.65 27.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 1.0900000000000001 110.995 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 10.7 m -143.36 131.69 19.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 2.8700000000000001 109.254 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 51.88 -154.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 4.4199999999999999 109.267 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -87.59 49.6 1.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 3.6600000000000001 109.324 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 399' ' ' GLN . . . . . 0.513 ' O ' HD11 ' A' ' 418' ' ' ILE . 0.7 OUTLIER -146.66 162.93 37.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 2.2999999999999998 110.219 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 400' ' ' TYR . . . . . 0.501 ' O ' ' CG ' ' A' ' 400' ' ' TYR . 0.4 OUTLIER -117.15 87.27 2.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 2.2000000000000002 110.996 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -82.42 156.66 24.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 4.9699999999999998 108.0 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -154.09 127.17 8.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 3.46 110.253 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 403' ' ' TYR . . . . . 0.526 ' CD2' ' HB3' ' A' ' 410' ' ' MET . 9.1 m-85 -106.08 177.3 4.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 6.9800000000000004 110.96 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -119.71 129.62 54.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 2.5600000000000001 109.294 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -86.19 -50.3 7.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 3.7400000000000002 110.301 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -59.07 -64.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 8.0600000000000005 110.294 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.79 -39.56 92.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 2.9100000000000001 110.275 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 71.59 46.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 2.6000000000000001 110.329 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 11.4 tpt -144.91 108.86 4.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 2.3300000000000001 110.951 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 410' ' ' MET . . . . . 0.526 ' HB3' ' CD2' ' A' ' 403' ' ' TYR . 0.0 OUTLIER -57.87 129.27 41.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.578 1.174 . . . . 2.0800000000000001 110.943 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.93 135.66 56.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 2.6699999999999999 109.293 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 113.11 3.72 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.448 1.762 . . . . 2.3599999999999999 110.99 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 49.86 101.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.467 1.104 . . . . 1.9399999999999999 111.022 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 414' ' ' TYR . . . . . 0.578 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 1.8 t80 -135.34 62.61 51.33 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 1.8899999999999999 110.974 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 415' ' ' PRO . . . . . 0.432 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -75.02 66.22 6.05 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.507 1.793 . . . . 1.4399999999999999 111.019 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . 0.578 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 9.7 mmtt -80.68 -171.45 3.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 3.5499999999999998 109.307 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 417' ' ' LEU . . . . . 0.436 HD22 ' O ' ' A' ' 416' ' ' LYS . 0.4 OUTLIER -136.65 138.73 41.42 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.497 1.123 . . . . 2.7400000000000002 109.304 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 418' ' ' ILE . . . . . 0.513 HD11 ' O ' ' A' ' 399' ' ' GLN . 3.6 mp -69.78 -73.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 1.23 109.34 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 419' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 418' ' ' ILE . 9.3 t -38.12 -31.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 1.3200000000000001 110.432 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 418' ' ' ILE . 9.2 mtpt -70.35 -70.0 0.32 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.553 1.158 . . . . 2.2599999999999998 109.343 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . 0.479 ' OD1' ' CZ ' ' A' ' 422' ' ' PHE . 22.8 t-20 -48.79 -50.69 32.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 2.4900000000000002 109.279 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 422' ' ' PHE . . . . . 0.479 ' CZ ' ' OD1' ' A' ' 421' ' ' ASN . 70.1 m-85 -118.48 97.79 5.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 2.6899999999999999 111.006 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -70.07 151.56 45.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 3.0499999999999998 110.26 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . 0.433 ' O ' HD13 ' A' ' 425' ' ' ILE . . . 73.61 40.25 47.1 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.443 1.089 . . . . 1.71 111.019 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 425' ' ' ILE . . . . . 0.433 HD13 ' O ' ' A' ' 424' ' ' GLY . 4.8 mm -134.57 -64.64 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 0.752 . . . . 3.3799999999999999 109.362 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 139.62 164.1 9.76 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.459 1.099 . . . . 1.3100000000000001 111.0 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -18.68 18.75 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.525 1.803 . . . . 1.5700000000000001 110.983 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.443 ' O ' ' NE2' ' A' ' 444' ' ' GLN . 0.9 OUTLIER -128.97 141.73 51.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 3.2400000000000002 109.297 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 429' ' ' ILE . . . . . 0.509 HG23 ' HB3' ' A' ' 381' ' ' ASP . 7.5 tp -111.54 158.17 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 1.8799999999999999 109.33 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -110.01 -45.15 3.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 2.3500000000000001 109.252 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 431' ' ' ALA . . . . . 0.984 ' HB1' HG22 ' A' ' 291' ' ' VAL . . . -162.3 152.48 16.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.75 109.32 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.744 HG21 ' CE1' ' A' ' 442' ' ' PHE . 8.4 p -159.21 140.61 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 1.77 109.231 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 433' ' ' PHE . . . . . 0.442 ' HA ' HG12 ' A' ' 384' ' ' VAL . 2.3 p90 -153.17 152.92 31.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 2.77 110.984 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 434' ' ' TYR . . . . . 0.599 ' O ' ' CD2' ' A' ' 434' ' ' TYR . 7.9 t80 -102.85 96.03 6.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 3.7599999999999998 111.029 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 435' ' ' SER . . . . . 0.435 ' HB3' ' CE2' ' A' ' 433' ' ' PHE . 98.5 p -108.77 -19.72 13.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 2.3900000000000001 109.975 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 436' ' ' LYS . . . . . 0.401 ' CB ' ' HB2' ' A' ' 439' ' ' TYR . 20.9 mmtt -81.74 -169.23 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 3.6000000000000001 109.3 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -91.63 -42.01 10.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 4.0599999999999996 109.305 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 438' ' ' LYS . . . . . 0.432 ' O ' ' CG ' ' A' ' 438' ' ' LYS . 0.0 OUTLIER -156.85 59.67 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 3.23 109.292 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 439' ' ' TYR . . . . . 0.459 ' CE1' ' HB2' ' A' ' 452' ' ' ASP . 34.9 m-85 -146.35 156.19 43.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 2.5299999999999998 111.041 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -118.94 122.84 43.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 3.2000000000000002 111.03 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 441' ' ' TYR . . . . . 0.542 ' CE1' ' HG3' ' A' ' 450' ' ' GLU . 6.7 m-85 -109.39 102.55 11.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 2.23 110.999 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . 0.744 ' CE1' HG21 ' A' ' 432' ' ' VAL . 37.8 m-85 -104.06 155.93 18.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 3.3700000000000001 110.948 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 443' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -154.69 150.86 28.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 5.4500000000000002 111.0 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 444' ' ' GLN . . . . . 0.536 ' O ' ' CG ' ' A' ' 444' ' ' GLN . 3.2 tt0 -163.99 66.04 0.16 Allowed 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.449 1.093 . . . . 4.6799999999999997 110.27 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 137.92 -72.27 0.45 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 1.8400000000000001 111.009 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 1.7 t -172.47 49.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 2.3399999999999999 110.002 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.36 123.54 7.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 2.1000000000000001 109.284 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -107.43 94.74 5.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 3.3300000000000001 110.292 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 449' ' ' PHE . . . . . 0.511 ' CD1' HD13 ' A' ' 458' ' ' ILE . 96.5 m-85 -82.73 135.33 35.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 2.5800000000000001 110.992 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 0.542 ' HG3' ' CE1' ' A' ' 441' ' ' TYR . 5.9 tt0 -108.82 115.57 30.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 2.7999999999999998 110.339 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -101.81 152.73 20.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 2.8700000000000001 111.008 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 452' ' ' ASP . . . . . 0.459 ' HB2' ' CE1' ' A' ' 439' ' ' TYR . 46.0 t0 -144.86 162.25 37.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 3.5299999999999998 109.319 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . 0.554 ' O ' ' CD1' ' A' ' 453' ' ' PHE . 25.8 t80 -83.9 -7.93 59.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.586 1.179 . . . . 4.9000000000000004 110.97 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 31.9 tp -45.16 -37.11 4.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 3.5299999999999998 109.346 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -173.48 35.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 2.48 109.281 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 40.31 54.2 2.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 4.2699999999999996 110.261 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -139.97 159.02 43.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 3.5699999999999998 110.249 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 458' ' ' ILE . . . . . 0.511 HD13 ' CD1' ' A' ' 449' ' ' PHE . 56.5 mt -84.5 143.27 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 1.8400000000000001 109.405 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 81.5 p -122.16 -40.11 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 3.2599999999999998 110.433 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 460' ' ' LYS . . . . . 0.435 ' HB3' ' CB ' ' A' ' 450' ' ' GLU . 0.0 OUTLIER -110.16 131.76 54.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 3.8599999999999999 109.293 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 461' ' ' THR . . . . . 0.466 HG22 ' CD1' ' A' ' 449' ' ' PHE . 1.9 p -136.45 64.72 1.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 2.4199999999999999 110.429 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 462' ' ' LEU . . . . . 0.611 HD12 ' HB3' ' A' ' 466' ' ' SER . 1.6 pt? -90.87 179.1 5.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 2.1099999999999999 109.286 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -107.96 165.18 11.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 2.5 109.274 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 37.7 t -56.12 -46.56 79.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 2.2400000000000002 109.953 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 34.2 p-10 -89.48 56.01 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 3.1400000000000001 109.343 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . 0.611 ' HB3' HD12 ' A' ' 462' ' ' LEU . 30.0 t -106.44 -20.04 13.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.098 . . . . 2.2799999999999998 110.006 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 467' ' ' TRP . . . . . 0.483 ' HA ' ' CE3' ' A' ' 467' ' ' TRP . 0.1 OUTLIER -94.25 -54.68 3.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 4.0199999999999996 107.999 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 468' ' ' PHE . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 281' ' ' LEU . 17.2 t80 -38.77 -50.91 1.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.587 1.18 . . . . 6.7300000000000004 111.005 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 123.83 60.97 0.19 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.519 1.137 . . . . 2.1800000000000002 111.036 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 N-CA-C 108.331 -0.988 . . . . 3.48 108.331 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 281' ' ' LEU . . . . . 0.829 HD21 ' CD1' ' A' ' 307' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.311 -0.626 . . . . 2.4300000000000002 109.311 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 282' ' ' CYS . . . . . 1.103 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 35.8 t 178.2 -80.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 4.5599999999999996 108.282 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 283' ' ' ASP . . . . . 0.411 ' O ' ' ND2' ' A' ' 285' ' ' ASN . 0.6 OUTLIER -93.35 169.03 10.9 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 4.9000000000000004 109.285 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 60.22 5.4 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.443 1.76 . . . . 2.7599999999999998 111.004 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 285' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 283' ' ' ASP . 0.0 OUTLIER -111.12 -15.88 13.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 3.1200000000000001 109.33 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 286' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 286' ' ' LEU . 12.1 tp -106.23 164.09 12.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 3.5299999999999998 109.303 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 90.1 p -144.3 -179.98 6.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 1.6100000000000001 110.006 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 288' ' ' PHE . . . . . 0.4 ' CE2' ' OG ' ' A' ' 464' ' ' SER . 21.7 m-85 -135.26 167.91 20.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 2.1000000000000001 110.982 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.2 -55.64 2.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 2.3100000000000001 109.351 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 290' ' ' ALA . . . . . 0.434 ' HB2' ' C ' ' A' ' 333' ' ' GLU . . . -132.89 152.43 51.87 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.491 1.119 . . . . 0.76000000000000001 109.285 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 291' ' ' VAL . . . . . 0.471 HG22 ' HB1' ' A' ' 431' ' ' ALA . 3.2 m -149.79 121.02 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 1.8500000000000001 109.279 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 14.9 t -120.73 146.51 46.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 1.1799999999999999 110.396 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 293' ' ' THR . . . . . 0.74 HG22 HG22 ' A' ' 298' ' ' ILE . 74.4 p -98.02 141.2 31.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.085 . . . . 2.9500000000000002 110.376 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 294' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 296' ' ' ASN . 88.8 t -137.21 113.48 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 1.8700000000000001 109.3 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 59.58 -81.97 0.01 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.469 1.105 . . . . 1.8899999999999999 110.976 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 296' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 294' ' ' VAL . 34.9 t30 -146.81 34.83 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 0.78 . . . . 4.3499999999999996 109.279 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.86 ' HA ' HG11 ' A' ' 310' ' ' VAL . 1.9 mtpt -140.23 168.05 20.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 5.4000000000000004 109.318 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 298' ' ' ILE . . . . . 0.74 HG22 HG22 ' A' ' 293' ' ' THR . 2.2 pp -137.11 124.83 32.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.518 1.136 . . . . 3.1800000000000002 109.331 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -85.87 127.15 34.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 2.3300000000000001 111.058 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 300' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -97.98 116.94 31.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 2.71 111.03 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 301' ' ' PHE . . . . . 0.427 ' CE1' HD11 ' A' ' 321' ' ' ILE . 17.7 m-85 -112.97 147.89 36.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 2.1400000000000001 111.082 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -128.84 -69.34 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 2.9199999999999999 109.271 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -143.93 -68.13 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 3.21 109.343 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.87 -61.01 1.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 3.8599999999999999 110.261 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -80.85 171.95 14.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.451 1.094 . . . . 4.04 111.024 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 306' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -142.8 158.97 43.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 1.8 111.006 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 307' ' ' TRP . . . . . 0.829 ' CD1' HD21 ' A' ' 281' ' ' LEU . 9.0 m-90 -109.27 147.48 32.56 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.009 -1.108 . . . . 4.3899999999999997 108.009 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 8.8 tp -138.73 99.37 3.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 2.48 109.29 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -154.91 106.31 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 3.2200000000000002 109.279 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 310' ' ' VAL . . . . . 0.86 HG11 ' HA ' ' A' ' 297' ' ' LYS . 1.6 p -163.69 176.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 3.5800000000000001 109.291 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 311' ' ' SER . . . . . 0.514 ' H ' HG22 ' A' ' 310' ' ' VAL . 9.3 t 64.58 -81.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 4.7300000000000004 110.027 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -154.82 72.65 0.85 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 6.0899999999999999 110.323 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.99 146.3 32.86 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.525 1.14 . . . . 5.0800000000000001 110.301 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -51.67 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 2.04 111.037 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 24.5 ttpt -145.22 163.31 34.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 3.3100000000000001 109.277 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . 0.447 HG21 HD22 ' A' ' 281' ' ' LEU . 61.3 p -76.15 177.96 6.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.08 . . . . 1.72 110.451 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.34 175.52 10.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 1.8600000000000001 110.019 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 318' ' ' VAL . . . . . 0.54 HG12 ' CE2' ' A' ' 307' ' ' TRP . 2.2 m -145.45 83.72 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 2.8900000000000001 109.317 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -101.93 165.99 10.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 2.5299999999999998 109.324 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 61.7 tp -108.46 134.69 50.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 2.3900000000000001 109.262 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 321' ' ' ILE . . . . . 0.427 HD11 ' CE1' ' A' ' 301' ' ' PHE . 2.3 mt -60.79 -68.11 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 1.7 109.301 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 322' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 321' ' ' ILE . 8.6 m -36.69 -42.99 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 2.21 110.04 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 323' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 322' ' ' SER . 3.4 t -38.39 -36.05 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 1.5800000000000001 109.989 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 4.5 mp -107.29 -74.22 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.177 . . . . 2.2999999999999998 109.348 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 325' ' ' TRP . . . . . 0.676 ' HB3' HD23 ' A' ' 328' ' ' LEU . 5.3 m-90 -55.79 130.58 72.27 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 3.3300000000000001 107.994 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -77.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 2.1099999999999999 110.973 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 327' ' ' THR . . . . . 0.916 ' O ' HD22 ' A' ' 328' ' ' LEU . 10.2 t -85.99 87.55 7.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 1.8600000000000001 110.371 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 328' ' ' LEU . . . . . 0.916 HD22 ' O ' ' A' ' 327' ' ' THR . 1.8 mm? -142.48 132.32 12.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 1.27 109.358 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 329' ' ' PRO . . . . . 0.495 ' HD2' HD13 ' A' ' 328' ' ' LEU . 18.1 Cg_endo -75.02 -30.42 7.16 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 2.6099999999999999 110.929 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 7.2 p 60.33 -169.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 2.6299999999999999 109.987 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 49.08 22.7 3.32 Favored Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.432 1.083 . . . . 1.5600000000000001 111.023 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.786 HD13 HD12 ' A' ' 346' ' ' LEU . 1.7 mp -50.06 136.52 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.756 . . . . 1.8100000000000001 109.286 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 333' ' ' GLU . . . . . 0.434 ' C ' ' HB2' ' A' ' 290' ' ' ALA . 35.7 mt-10 -89.0 -33.92 17.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 2.6899999999999999 110.279 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 334' ' ' ALA . . . . . 0.411 ' HB1' ' CB ' ' A' ' 383' ' ' ALA . . . -132.61 107.42 8.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.84999999999999998 109.313 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -114.55 121.34 43.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 1.0700000000000001 109.226 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 336' ' ' TYR . . . . . 0.521 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 35.2 p90 -137.89 116.0 11.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 4.0199999999999996 110.976 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.27 178.72 6.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 3.8399999999999999 110.325 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 338' ' ' ILE . . . . . 0.568 HG23 ' O ' ' A' ' 338' ' ' ILE . 0.1 OUTLIER -150.62 105.46 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 3.6200000000000001 109.319 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.15 83.98 7.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 3.3100000000000001 110.32 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -160.44 -60.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 1.6299999999999999 109.318 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 341' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 342' ' ' ASN . 7.9 ptp180 -91.44 -12.31 35.09 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.093 . . . . 5.4800000000000004 110.365 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 342' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 341' ' ' ARG . 2.0 t-20 77.64 51.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 3.5800000000000001 109.267 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -136.07 142.4 44.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 2.6800000000000002 110.33 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 344' ' ' VAL . . . . . 0.455 HG12 ' CD2' ' A' ' 346' ' ' LEU . 11.1 t -106.35 151.51 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.522 1.139 . . . . 1.3700000000000001 109.297 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 345' ' ' PHE . . . . . 0.795 ' C ' HD22 ' A' ' 346' ' ' LEU . 1.0 OUTLIER -131.21 130.32 42.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 2.5899999999999999 110.978 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.795 HD22 ' C ' ' A' ' 345' ' ' PHE . 4.0 mm? -131.91 114.65 14.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 1.47 109.266 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 347' ' ' PHE . . . . . 0.855 ' CZ ' HD12 ' A' ' 380' ' ' ILE . 3.3 t80 -99.3 152.73 19.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 6.4900000000000002 111.039 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 348' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.6 128.5 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 5.0999999999999996 109.236 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 6.0 t0 56.65 -150.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 2.9100000000000001 109.284 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 350' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -89.89 40.27 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 4.0800000000000001 109.334 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.413 ' HD2' ' CZ3' ' A' ' 353' ' ' TRP . 1.3 mttp -154.76 151.95 29.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 1.6299999999999999 109.306 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 352' ' ' TYR . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 366' ' ' LYS . 3.6 p90 -141.54 114.55 8.62 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.49 1.119 . . . . 2.8300000000000001 111.015 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 353' ' ' TRP . . . . . 0.649 ' CH2' ' HA ' ' A' ' 365' ' ' PRO . 0.6 OUTLIER -87.14 158.5 19.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 4.4800000000000004 108.008 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 354' ' ' LEU . . . . . 0.672 HD23 ' CE2' ' A' ' 364' ' ' TYR . 0.3 OUTLIER -124.63 148.98 47.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 2.1899999999999999 109.328 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.577 ' N ' HD12 ' A' ' 354' ' ' LEU . 6.4 mt -135.99 135.27 50.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 1.5800000000000001 109.325 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 356' ' ' SER . . . . . 0.418 ' O ' ' CB ' ' A' ' 357' ' ' ASN . 1.7 t -113.2 106.48 14.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 1.98 109.991 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 357' ' ' ASN . . . . . 0.518 HD22 HD23 ' A' ' 358' ' ' LEU . 0.2 OUTLIER 76.49 -59.66 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 4.96 109.303 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 358' ' ' LEU . . . . . 0.518 HD23 HD22 ' A' ' 357' ' ' ASN . 0.3 OUTLIER -161.22 -59.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 3.7400000000000002 109.271 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.16 123.09 87.49 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 4.1200000000000001 110.296 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 360' ' ' PRO . . . . . 0.496 ' HG2' HG22 ' A' ' 327' ' ' THR . 18.3 Cg_endo -75.03 -178.94 4.53 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.561 1.821 . . . . 1.8300000000000001 111.011 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -79.36 161.51 67.24 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 2.9100000000000001 110.3 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 362' ' ' PRO . . . . . 0.484 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.2 Cg_endo -75.07 64.36 6.11 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.548 1.815 . . . . 2.6200000000000001 110.963 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 363' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 0.7 OUTLIER 80.33 109.51 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.081 . . . . 3.9100000000000001 109.219 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 364' ' ' TYR . . . . . 0.672 ' CE2' HD23 ' A' ' 354' ' ' LEU . 0.9 OUTLIER -130.04 65.3 75.07 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.159 . . . . 3.27 111.001 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 365' ' ' PRO . . . . . 0.649 ' HA ' ' CH2' ' A' ' 353' ' ' TRP . 18.5 Cg_endo -75.05 70.48 5.32 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.543 1.812 . . . . 2.1000000000000001 111.052 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 366' ' ' LYS . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 352' ' ' TYR . 6.9 mmtt -83.81 173.33 11.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 1.8899999999999999 109.331 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.84 131.09 37.01 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 2.1299999999999999 110.019 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 35.7 pt -63.72 -41.67 93.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 1.6499999999999999 109.3 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -54.39 -32.03 56.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 2.8900000000000001 109.611 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.72 -7.92 38.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 2.6600000000000001 109.963 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -156.93 45.26 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 5.5800000000000001 110.975 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 372' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -162.4 -51.05 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.49 1.119 . . . . 3.4700000000000002 111.022 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 373' ' ' PHE . . . . . 0.458 ' N ' ' HD3' ' A' ' 374' ' ' PRO . 1.6 t80 37.36 61.01 3.94 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.407 0.71 . . . . 7.6299999999999999 110.928 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 374' ' ' PRO . . . . . 0.458 ' HD3' ' N ' ' A' ' 373' ' ' PHE . 18.2 Cg_endo -75.0 -162.75 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.768 . . . . 2.4300000000000002 110.995 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -86.66 -26.14 24.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 6.7000000000000002 109.276 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 169.17 80.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.59 1.181 . . . . 4.9000000000000004 110.972 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 377' ' ' VAL . . . . . 0.451 HG22 ' N ' ' A' ' 378' ' ' LYS . 13.5 p -88.82 165.64 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 2.25 109.28 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 378' ' ' LYS . . . . . 0.451 ' N ' HG22 ' A' ' 377' ' ' VAL . 0.4 OUTLIER -174.36 -45.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.148 . . . . 3.1200000000000001 109.363 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 379' ' ' LYS . . . . . 0.559 ' O ' HG23 ' A' ' 396' ' ' VAL . 0.0 OUTLIER -147.99 134.81 20.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 1.99 109.348 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 380' ' ' ILE . . . . . 0.855 HD12 ' CZ ' ' A' ' 347' ' ' PHE . 25.9 mt -101.58 147.23 8.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.515 1.134 . . . . 1.04 109.34 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 381' ' ' ASP . . . . . 0.402 ' CG ' ' O ' ' A' ' 429' ' ' ILE . 6.0 m-20 -79.71 -50.06 11.16 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.581 1.176 . . . . 2.2599999999999998 109.336 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 382' ' ' ALA . . . . . 0.788 ' HB2' ' HA ' ' A' ' 431' ' ' ALA . . . -158.18 168.78 26.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.83999999999999997 109.317 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 383' ' ' ALA . . . . . 0.411 ' CB ' ' HB1' ' A' ' 334' ' ' ALA . . . -152.21 133.54 14.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.98999999999999999 109.268 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 4.1 p -144.75 154.58 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 2.2000000000000002 109.32 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -98.6 151.43 20.69 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.587 1.18 . . . . 1.8200000000000001 111.056 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -122.38 110.1 32.59 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 2.5800000000000001 109.222 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -9.99 20.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 1.76 110.907 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 1.5 tpt85 -73.59 -49.24 27.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 2.1200000000000001 110.256 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -119.2 18.05 13.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 3.8500000000000001 110.94 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 390' ' ' TYR . . . . . 0.432 ' CB ' ' HB3' ' A' ' 406' ' ' ARG . 24.8 m-85 43.68 36.14 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 3.46 110.998 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -108.97 178.61 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 2.9199999999999999 110.321 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 52.7 m -134.5 134.56 41.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.87 110.422 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -95.52 127.83 41.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 2.4500000000000002 111.033 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -123.36 117.82 26.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 2.27 110.975 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 395' ' ' PHE . . . . . 0.664 ' O ' HG23 ' A' ' 380' ' ' ILE . 65.1 m-85 -100.61 131.0 46.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 1.3899999999999999 111.001 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 396' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 379' ' ' LYS . 14.5 p -145.99 133.03 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 3.0299999999999998 109.295 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 48.42 -152.28 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 3.8799999999999999 109.299 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -88.13 45.85 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 3.5099999999999998 109.355 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 399' ' ' GLN . . . . . 0.448 ' HB3' ' CZ3' ' A' ' 401' ' ' TRP . 0.1 OUTLIER -145.36 179.81 7.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 3.77 110.269 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 400' ' ' TYR . . . . . 0.594 ' CE1' ' O ' ' A' ' 401' ' ' TRP . 8.1 t80 -141.17 151.48 43.88 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.447 1.092 . . . . 2.7000000000000002 110.952 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 401' ' ' TRP . . . . . 0.594 ' O ' ' CE1' ' A' ' 400' ' ' TYR . 2.6 m-90 -139.95 165.02 28.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 5.4900000000000002 108.007 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -149.26 108.45 3.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 2.6499999999999999 110.299 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -95.89 152.68 18.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.411 1.069 . . . . 5.2599999999999998 110.944 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.56 119.73 38.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 2.1000000000000001 109.266 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.58 -33.9 14.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 3.3599999999999999 110.247 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . 0.432 ' HB3' ' CB ' ' A' ' 390' ' ' TYR . 1.6 ppt_? -71.18 -34.4 70.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 6.1100000000000003 110.319 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 407' ' ' ARG . . . . . 0.461 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.0 OUTLIER -91.14 -40.89 11.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 2.6299999999999999 110.237 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . 0.461 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 5.3 tt0 83.57 40.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.097 . . . . 2.73 110.325 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 2.9 tpp -154.68 110.23 3.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 2.0699999999999998 110.933 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.53 140.04 14.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 2.6200000000000001 111.009 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.69 140.74 47.9 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 2.8900000000000001 109.289 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 107.83 2.57 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.512 1.796 . . . . 3.2799999999999998 110.946 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 47.86 93.02 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 2.3599999999999999 110.986 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 414' ' ' TYR . . . . . 0.527 ' CZ ' ' HG3' ' A' ' 416' ' ' LYS . 80.5 t80 -134.52 61.7 50.53 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 4.3399999999999999 111.007 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 415' ' ' PRO . . . . . 0.439 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -74.99 78.26 2.94 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.546 1.814 . . . . 1.45 111.024 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . 0.527 ' HG3' ' CZ ' ' A' ' 414' ' ' TYR . 48.9 mmtt -100.57 -175.95 3.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 2.4399999999999999 109.288 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.74 157.24 45.43 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.526 1.141 . . . . 2.1200000000000001 109.352 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 418' ' ' ILE . . . . . 0.477 HG12 ' CD1' ' A' ' 395' ' ' PHE . 2.6 mp -60.11 -65.14 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 1.3700000000000001 109.263 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.31 -17.23 41.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 1.46 110.427 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -70.82 -72.52 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 2.3999999999999999 109.305 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -70.26 -53.4 17.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 2.0499999999999998 109.318 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 422' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -98.05 103.85 15.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 4.3799999999999999 110.96 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -85.64 156.11 20.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 4.1200000000000001 110.276 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 92.25 -33.56 4.86 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.525 1.141 . . . . 1.6699999999999999 110.928 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 425' ' ' ILE . . . . . 0.79 ' CG2' HD13 ' A' ' 429' ' ' ILE . 4.3 mm -62.63 -72.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 0.771 . . . . 2.96 109.292 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 142.36 -175.37 22.86 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 1.3200000000000001 110.969 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -40.72 0.85 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.551 1.816 . . . . 1.75 111.066 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -117.64 130.35 56.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 2.7000000000000002 109.289 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 429' ' ' ILE . . . . . 0.79 HD13 ' CG2' ' A' ' 425' ' ' ILE . 7.1 tp -116.24 139.78 41.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 1.8799999999999999 109.347 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.77 -83.56 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 2.71 109.251 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 431' ' ' ALA . . . . . 0.788 ' HA ' ' HB2' ' A' ' 382' ' ' ALA . . . -129.94 166.11 20.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 0.91000000000000003 109.334 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.674 HG21 ' CE2' ' A' ' 442' ' ' PHE . 2.9 p -160.03 150.43 6.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 1.8999999999999999 109.271 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 433' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 441' ' ' TYR . 4.6 p90 -148.64 166.12 29.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 3.6000000000000001 110.968 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 434' ' ' TYR . . . . . 0.702 ' O ' HG21 ' A' ' 293' ' ' THR . 6.9 t80 -114.3 112.34 22.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 3.3799999999999999 110.999 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 435' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 436' ' ' LYS . 60.5 p -134.39 83.42 2.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 3.3100000000000001 110.037 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 436' ' ' LYS . . . . . 0.524 ' HD3' ' CD1' ' A' ' 439' ' ' TYR . 1.8 mttt 169.82 -162.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 5.2599999999999998 109.303 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -95.21 -34.07 12.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 4.71 109.314 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 438' ' ' LYS . . . . . 0.511 ' HA ' ' CE ' ' A' ' 438' ' ' LYS . 0.0 OUTLIER -161.36 62.6 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.123 . . . . 3.9199999999999999 109.273 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 439' ' ' TYR . . . . . 0.524 ' CD1' ' HD3' ' A' ' 436' ' ' LYS . 3.1 m-85 -146.96 163.19 36.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 2.9399999999999999 111.05 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 440' ' ' TYR . . . . . 0.552 ' HB3' ' CE1' ' A' ' 442' ' ' PHE . 52.0 m-85 -132.02 125.37 31.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.176 . . . . 3.5099999999999998 111.021 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 441' ' ' TYR . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 433' ' ' PHE . 26.9 m-85 -105.02 106.01 16.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 2.6800000000000002 111.033 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . 0.674 ' CE2' HG21 ' A' ' 432' ' ' VAL . 90.5 m-85 -99.71 164.76 11.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 3.3500000000000001 110.983 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 443' ' ' PHE . . . . . 0.594 ' HD2' ' HB3' ' A' ' 431' ' ' ALA . 0.1 OUTLIER -144.81 139.59 27.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 5.7300000000000004 111.032 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 444' ' ' GLN . . . . . 0.418 ' N ' ' CD1' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -158.05 97.59 1.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 3.7400000000000002 110.348 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 107.51 -69.07 0.22 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 1.95 111.003 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 1.3 m 179.3 41.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 2.71 110.001 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -147.22 132.94 18.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 3.4300000000000002 109.256 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 448' ' ' GLN . . . . . 0.469 ' O ' ' CD2' ' A' ' 462' ' ' LEU . 1.8 pt20 -118.14 85.33 2.33 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.511 1.132 . . . . 3.8900000000000001 110.256 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 449' ' ' PHE . . . . . 0.568 ' HB2' HG23 ' A' ' 458' ' ' ILE . 33.1 p90 -81.93 165.28 20.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 5.3099999999999996 110.97 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 0.516 ' HG3' ' CE2' ' A' ' 441' ' ' TYR . 0.1 OUTLIER -98.52 164.08 12.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 3.8599999999999999 110.289 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -152.42 126.45 9.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 2.7400000000000002 110.978 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 452' ' ' ASP . . . . . 0.485 ' HB3' HD23 ' A' ' 455' ' ' LEU . 7.8 t0 -99.4 128.93 45.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 3.7799999999999998 109.26 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -78.25 4.98 11.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 4.4900000000000002 110.98 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 45.0 tp -89.17 5.69 43.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.435 1.084 . . . . 4.1200000000000001 109.272 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.555 HD11 ' HB2' ' A' ' 457' ' ' ARG . 0.7 OUTLIER -171.72 -38.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 3.3599999999999999 109.277 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 456' ' ' GLN . . . . . 0.475 ' CB ' ' O ' ' A' ' 455' ' ' LEU . 1.6 mt-30 84.26 64.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 3.5299999999999998 110.288 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 457' ' ' ARG . . . . . 0.555 ' HB2' HD11 ' A' ' 455' ' ' LEU . 0.1 OUTLIER -146.1 143.67 29.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 6.2599999999999998 110.302 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 458' ' ' ILE . . . . . 0.568 HG23 ' HB2' ' A' ' 449' ' ' PHE . 91.5 mt -80.49 137.44 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 2.25 109.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 34.7 p -120.19 -42.52 2.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 2.7400000000000002 110.399 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt -109.44 141.51 41.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 4.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 21.8 p -142.31 78.65 1.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 1.96 110.408 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 462' ' ' LEU . . . . . 0.469 ' CD2' ' O ' ' A' ' 448' ' ' GLN . 1.9 pt? -97.42 172.2 7.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.084 . . . . 1.8899999999999999 109.322 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -95.03 144.75 25.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 3.1400000000000001 109.301 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 464' ' ' SER . . . . . 0.4 ' OG ' ' CE2' ' A' ' 288' ' ' PHE . 4.0 t -40.79 -43.78 2.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 1.98 109.989 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -99.11 70.74 1.8 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.516 1.135 . . . . 4.1299999999999999 109.277 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 9.1 t -110.65 -20.56 12.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 2.5499999999999998 109.965 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -91.16 -47.72 7.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 5.3399999999999999 108.015 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 468' ' ' PHE . . . . . 0.591 ' CZ ' ' O ' ' A' ' 281' ' ' LEU . 9.2 t80 -39.87 -37.62 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 7.2300000000000004 111.067 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 120.68 36.4 0.78 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.441 1.088 . . . . 2.48 111.003 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 470' ' ' CYS . . . . . 1.103 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 N-CA-C 108.284 -1.006 . . . . 3.5699999999999998 108.284 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 281' ' ' LEU . . . . . 0.615 HD23 ' CH2' ' A' ' 307' ' ' TRP . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.305 -0.628 . . . . 3.2400000000000002 109.305 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 282' ' ' CYS . . . . . 1.151 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 53.2 m -84.38 69.31 10.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 3.1600000000000001 108.25 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -177.31 110.06 0.23 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 4.1699999999999999 109.325 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 60.89 5.57 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.405 1.74 . . . . 1.99 111.046 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 285' ' ' ASN . . . . . 0.441 ' ND2' ' N ' ' A' ' 285' ' ' ASN . 0.0 OUTLIER -161.92 48.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 4.8600000000000003 109.242 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 14.6 mt -93.32 128.38 39.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 3.5499999999999998 109.312 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 287' ' ' SER . . . . . 0.408 ' O ' ' CE ' ' A' ' 302' ' ' LYS . 2.8 t -115.29 148.38 39.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 2.8500000000000001 109.996 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 288' ' ' PHE . . . . . 0.521 ' CD1' ' CD2' ' A' ' 443' ' ' PHE . 21.4 m-85 -121.42 168.15 12.0 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.566 1.166 . . . . 2.5099999999999998 111.053 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 289' ' ' ASP . . . . . 0.645 ' O ' ' HB2' ' A' ' 431' ' ' ALA . 5.0 m-20 -126.09 -53.21 1.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.579 1.174 . . . . 3.2400000000000002 109.242 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -137.85 137.15 37.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.81000000000000005 109.259 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 291' ' ' VAL . . . . . 0.724 HG11 ' CE1' ' A' ' 443' ' ' PHE . 6.1 m -135.46 135.68 51.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 2.1400000000000001 109.338 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 11.8 t -155.29 153.4 30.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 1.24 110.413 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 293' ' ' THR . . . . . 0.544 HG22 ' CE2' ' A' ' 433' ' ' PHE . 10.5 t -131.82 158.32 41.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 3.1600000000000001 110.35 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 70.9 t -147.96 95.86 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 1.97 109.379 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 88.29 -118.01 4.97 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 1.75 110.983 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -107.54 5.67 27.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 4.9400000000000004 109.31 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.811 ' HA ' HG11 ' A' ' 310' ' ' VAL . 1.4 mtpp -110.37 136.44 49.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 2.9700000000000002 109.255 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 298' ' ' ILE . . . . . 0.637 HD12 ' CZ ' ' A' ' 300' ' ' PHE . 16.5 pt -112.57 129.74 67.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 2.2000000000000002 109.293 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -106.28 126.73 52.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 2.5600000000000001 111.031 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 300' ' ' PHE . . . . . 0.637 ' CZ ' HD12 ' A' ' 298' ' ' ILE . 24.4 m-85 -119.32 119.56 34.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 2.77 110.98 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -96.0 134.46 39.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 1.99 110.989 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 302' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 304' ' ' ARG . 0.0 OUTLIER -131.9 89.24 2.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 2.9399999999999999 109.274 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 56.71 -87.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 4.6699999999999999 109.324 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 304' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 302' ' ' LYS . 0.2 OUTLIER -118.39 -19.89 8.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 4.4299999999999997 110.291 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 305' ' ' PHE . . . . . 0.47 ' CD2' ' CG1' ' A' ' 318' ' ' VAL . 2.6 m-85 -87.45 140.18 29.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 4.6699999999999999 110.988 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 306' ' ' PHE . . . . . 0.438 ' CB ' ' O ' ' A' ' 319' ' ' ASN . 0.5 OUTLIER -106.2 108.99 20.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 4.5599999999999996 110.974 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 307' ' ' TRP . . . . . 0.615 ' CH2' HD23 ' A' ' 281' ' ' LEU . 0.0 OUTLIER -84.27 138.67 32.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 5.96 108.008 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 316' ' ' THR . 13.0 tp -143.3 127.54 17.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 2.7400000000000002 109.338 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 309' ' ' LYS . . . . . 0.458 ' CE ' ' HA ' ' A' ' 468' ' ' PHE . 3.7 tptt -153.76 93.89 1.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 2.4300000000000002 109.326 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 310' ' ' VAL . . . . . 0.811 HG11 ' HA ' ' A' ' 297' ' ' LYS . 1.2 p -174.33 -179.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 2.8900000000000001 109.35 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 311' ' ' SER . . . . . 0.548 ' H ' HG22 ' A' ' 310' ' ' VAL . 11.6 t 44.41 88.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 5.0999999999999996 109.994 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 312' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 311' ' ' SER . 2.1 tt0 37.03 73.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 5.4400000000000004 110.335 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.07 118.86 19.54 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 4.6100000000000003 110.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -33.03 4.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.526 1.803 . . . . 2.1299999999999999 111.007 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -143.15 168.11 20.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 4.3499999999999996 109.308 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . 0.645 HG22 ' CD1' ' A' ' 468' ' ' PHE . 12.7 p -75.3 170.1 16.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 1.5 110.419 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.52 172.08 11.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 1.95 110.002 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 318' ' ' VAL . . . . . 0.47 ' CG1' ' CD2' ' A' ' 305' ' ' PHE . 40.4 t -132.22 94.15 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 1.96 109.251 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 319' ' ' ASN . . . . . 0.438 ' O ' ' CB ' ' A' ' 306' ' ' PHE . 1.6 m120 -103.61 -179.95 4.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 3.48 109.277 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.45 ' HB3' ' CB ' ' A' ' 323' ' ' SER . 0.1 OUTLIER -136.77 139.33 41.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 2.2799999999999998 109.28 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 321' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 324' ' ' LEU . 3.9 mp -59.13 -73.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 1.3100000000000001 109.241 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 5.6 m -44.92 -39.68 5.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 2.5800000000000001 109.983 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 323' ' ' SER . . . . . 0.45 ' CB ' ' HB3' ' A' ' 320' ' ' LEU . 29.1 t -55.42 -36.03 66.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 1.3 110.097 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 321' ' ' ILE . 4.1 mm? -102.81 -79.78 0.52 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 3.3700000000000001 109.311 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 325' ' ' TRP . . . . . 0.427 ' HE3' HG23 ' A' ' 321' ' ' ILE . 1.4 m0 -52.09 151.54 6.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 1.52 108.007 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -89.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.483 1.78 . . . . 1.0900000000000001 110.998 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 327' ' ' THR . . . . . 0.957 ' O ' HD22 ' A' ' 328' ' ' LEU . 1.2 m -93.88 91.22 6.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 2.4199999999999999 110.35 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 328' ' ' LEU . . . . . 0.957 HD22 ' O ' ' A' ' 327' ' ' THR . 1.5 mm? -145.41 130.79 9.28 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 1.3999999999999999 109.255 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 329' ' ' PRO . . . . . 0.517 ' HD2' HD13 ' A' ' 328' ' ' LEU . 18.3 Cg_endo -75.02 176.83 9.4 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.446 1.761 . . . . 1.9399999999999999 110.972 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 4.7 m -115.19 154.08 29.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 2.2400000000000002 110.009 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 74.53 49.15 11.83 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.107 . . . . 1.4099999999999999 110.946 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.4 HG21 ' HB2' ' A' ' 335' ' ' ALA . 14.5 mt -49.11 136.48 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.447 0.733 . . . . 1.8500000000000001 109.287 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -85.0 -40.72 16.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 2.6200000000000001 110.303 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 334' ' ' ALA . . . . . 0.728 ' HB1' ' HB3' ' A' ' 383' ' ' ALA . . . -160.63 133.4 6.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.98999999999999999 109.329 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . 0.4 ' HB2' HG21 ' A' ' 332' ' ' ILE . . . -132.34 142.53 49.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0900000000000001 109.19 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 336' ' ' TYR . . . . . 0.538 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 3.9 p90 -154.9 126.69 7.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 2.8999999999999999 111.036 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 337' ' ' GLU . . . . . 0.748 ' HG2' HG22 ' A' ' 344' ' ' VAL . 1.8 mp0 -110.67 151.85 27.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 5.2800000000000002 110.302 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 338' ' ' ILE . . . . . 0.526 HD12 ' CE2' ' A' ' 385' ' ' PHE . 11.4 mm -129.97 115.85 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 3.48 109.257 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -62.59 -39.32 93.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 3.4500000000000002 110.338 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -57.29 -52.07 66.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 1.8 109.298 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.65 -24.76 58.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.586 1.179 . . . . 5.5700000000000003 110.31 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 1.2 t30 59.61 39.23 21.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 2.6800000000000002 109.237 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -124.87 177.77 5.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 2.7000000000000002 110.356 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 344' ' ' VAL . . . . . 0.748 HG22 ' HG2' ' A' ' 337' ' ' GLU . 52.2 t -143.32 117.33 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 1.3700000000000001 109.385 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 345' ' ' PHE . . . . . 0.473 ' HB2' ' CE1' ' A' ' 336' ' ' TYR . 8.4 m-85 -109.62 134.92 51.37 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.119 . . . . 2.7599999999999998 110.987 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.52 HD23 HD12 ' A' ' 328' ' ' LEU . 0.7 OUTLIER -132.23 124.57 29.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 2.3300000000000001 109.324 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 347' ' ' PHE . . . . . 0.468 ' CE2' ' CE1' ' A' ' 352' ' ' TYR . 6.1 m-85 -99.11 141.1 32.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 2.7400000000000002 111.046 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 348' ' ' LYS . . . . . 0.441 ' HG2' ' CB ' ' A' ' 329' ' ' PRO . 0.0 OUTLIER -153.54 114.1 4.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 3.48 109.308 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 3.1 t0 50.15 -149.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 3.3399999999999999 109.232 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 350' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 1.9 p-10 -86.25 40.44 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 3.6899999999999999 109.316 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -141.26 140.7 33.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 2.6699999999999999 109.297 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 352' ' ' TYR . . . . . 0.484 ' CE2' HG22 ' A' ' 368' ' ' ILE . 0.1 OUTLIER -102.59 152.45 21.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 5.2599999999999998 111.053 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -155.63 127.06 7.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 4.1500000000000004 108.064 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 354' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 355' ' ' ILE . 0.1 OUTLIER -126.84 135.04 50.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 2.4100000000000001 109.283 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.57 HD11 HD21 ' A' ' 328' ' ' LEU . 3.3 mp -96.67 109.63 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 1.51 109.31 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 356' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 358' ' ' LEU . 11.1 t -89.73 106.63 18.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 1.71 109.966 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 68.82 -65.35 0.29 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 3.8799999999999999 109.257 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 358' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 356' ' ' SER . 0.2 OUTLIER -144.15 -52.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 5.2599999999999998 109.343 179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 2.1 tpt85 -93.14 128.03 44.71 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 7.1200000000000001 110.333 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 360' ' ' PRO . . . . . 0.47 ' HG3' ' CD2' ' A' ' 328' ' ' LEU . 18.0 Cg_endo -74.99 -171.36 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.512 1.796 . . . . 1.4399999999999999 110.983 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -79.73 126.32 80.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 2.3399999999999999 110.348 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 362' ' ' PRO . . . . . 0.569 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.3 Cg_endo -74.91 91.07 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 1.8700000000000001 110.995 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 363' ' ' ASN . . . . . 0.569 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 2.1 t-20 87.03 73.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 4.1100000000000003 109.349 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 364' ' ' TYR . . . . . 0.576 ' CE2' ' HD3' ' A' ' 366' ' ' LYS . 0.2 OUTLIER -135.08 57.01 18.35 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 3.1800000000000002 110.993 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 365' ' ' PRO . . . . . 0.539 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -75.01 54.77 3.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.549 1.815 . . . . 1.6299999999999999 111.004 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 366' ' ' LYS . . . . . 0.576 ' HD3' ' CE2' ' A' ' 364' ' ' TYR . 0.2 OUTLIER -51.61 144.94 9.81 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.459 1.099 . . . . 1.78 109.284 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 367' ' ' SER . . . . . 0.408 ' HB2' ' ND1' ' A' ' 369' ' ' HIS . 51.6 p -95.33 109.65 21.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 4.25 109.961 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 368' ' ' ILE . . . . . 0.484 HG22 ' CE2' ' A' ' 352' ' ' TYR . 5.0 pt -51.64 -22.02 2.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 1.5800000000000001 109.308 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 369' ' ' HIS . . . . . 0.476 ' C ' ' CD2' ' A' ' 369' ' ' HIS . 0.4 OUTLIER -65.53 -14.48 61.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 3.8599999999999999 109.593 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 370' ' ' SER . . . . . 0.534 ' O ' ' CD2' ' A' ' 371' ' ' PHE . 17.7 t -66.83 -15.21 63.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 4.3700000000000001 109.986 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 371' ' ' PHE . . . . . 0.534 ' CD2' ' O ' ' A' ' 370' ' ' SER . 0.3 OUTLIER 161.44 -27.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 6.5899999999999999 110.961 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 372' ' ' GLY . . . . . 0.579 ' O ' ' CD2' ' A' ' 373' ' ' PHE . . . -62.94 -12.51 43.24 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.597 1.185 . . . . 6.9699999999999998 111.038 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 373' ' ' PHE . . . . . 0.579 ' CD2' ' O ' ' A' ' 372' ' ' GLY . 7.1 m-85 -177.66 168.93 1.06 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.5 0.765 . . . . 12.130000000000001 110.932 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 374' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -178.2 3.99 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.471 1.774 . . . . 4.8600000000000003 111.015 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -86.8 73.58 9.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 9.4199999999999999 109.356 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -178.34 -49.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 4.96 110.991 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 377' ' ' VAL . . . . . 0.561 HG21 ' CD1' ' A' ' 373' ' ' PHE . 4.4 t -43.87 163.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 2.1899999999999999 109.275 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 378' ' ' LYS . . . . . 0.495 ' N ' ' CG1' ' A' ' 377' ' ' VAL . 7.9 mtpt -170.4 -40.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 3.8399999999999999 109.317 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 9.6 pttt -124.61 119.52 29.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 2.1600000000000001 109.27 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 380' ' ' ILE . . . . . 0.545 HG12 ' CZ ' ' A' ' 373' ' ' PHE . 1.7 mt -100.14 155.84 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 1.3799999999999999 109.288 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.33 -46.58 7.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 2.3199999999999998 109.246 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -163.88 162.49 23.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 1.1899999999999999 109.287 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 383' ' ' ALA . . . . . 0.728 ' HB3' ' HB1' ' A' ' 334' ' ' ALA . . . -148.98 132.54 16.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 1.22 109.306 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . 0.567 HG12 ' HB2' ' A' ' 393' ' ' TYR . 10.2 p -132.03 153.48 38.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 2.8100000000000001 109.307 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 385' ' ' PHE . . . . . 0.526 ' CE2' HD12 ' A' ' 338' ' ' ILE . 18.6 t80 -122.56 145.85 47.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 1.95 110.978 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -126.33 111.32 23.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 2.6099999999999999 109.278 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -13.73 21.43 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.492 1.785 . . . . 1.8100000000000001 110.989 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 2.4 tpt85 -82.75 -37.19 24.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 2.52 110.312 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -103.13 -6.2 22.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 2.6400000000000001 110.964 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 53.73 42.66 31.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 3.0299999999999998 110.99 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -144.49 142.71 30.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 3.1699999999999999 110.281 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 4.8 m -110.02 123.42 49.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.98999999999999999 110.415 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . 0.567 ' HB2' HG12 ' A' ' 384' ' ' VAL . 3.2 m-30 -83.27 134.61 34.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 1.6799999999999999 110.962 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -121.59 108.55 13.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 1.9399999999999999 111.013 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 395' ' ' PHE . . . . . 0.622 ' CD1' HG23 ' A' ' 418' ' ' ILE . 42.4 m-85 -88.87 122.49 32.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 1.0900000000000001 111.008 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 396' ' ' VAL . . . . . 0.806 HG12 ' OD2' ' A' ' 397' ' ' ASP . 67.1 t -138.17 124.51 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 1.73 109.341 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 397' ' ' ASP . . . . . 0.806 ' OD2' HG12 ' A' ' 396' ' ' VAL . 0.5 OUTLIER 51.81 -152.92 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 3.5 109.351 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -85.22 49.86 1.83 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 4.1200000000000001 109.334 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -150.15 169.64 20.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 2.7799999999999998 110.274 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -137.64 145.53 42.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 2.8900000000000001 111.027 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -130.22 174.19 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.969 -1.123 . . . . 4.5599999999999996 107.969 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -152.82 115.3 4.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.098 . . . . 4.2999999999999998 110.349 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 403' ' ' TYR . . . . . 0.464 ' CE2' ' OE2' ' A' ' 405' ' ' GLU . 9.5 t80 -106.71 139.19 41.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 5.2599999999999998 110.998 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -88.4 139.82 30.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.431 1.082 . . . . 2.75 109.297 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . 0.464 ' OE2' ' CE2' ' A' ' 403' ' ' TYR . 17.9 mm-40 -104.76 -43.59 5.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 3.8100000000000001 110.287 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.23 -38.28 86.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 6.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 407' ' ' ARG . . . . . 0.414 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.2 OUTLIER -92.42 -40.6 10.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 3.8799999999999999 110.296 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . 0.414 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 0.1 OUTLIER 80.45 32.52 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 3.54 110.309 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 15.4 ttt -132.29 107.21 8.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 4.6100000000000003 110.96 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.74 150.74 40.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 2.0699999999999998 111.021 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.37 170.22 3.94 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 3.8500000000000001 109.267 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -65.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.549 1.815 . . . . 3.8300000000000001 111.008 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . -120.04 -53.12 0.26 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.458 1.099 . . . . 3.6000000000000001 111.012 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 414' ' ' TYR . . . . . 0.493 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 25.2 t80 40.0 62.96 5.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.747 . . . . 2.46 110.955 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 415' ' ' PRO . . . . . 0.425 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -75.0 80.32 2.46 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.485 1.782 . . . . 1.9199999999999999 110.984 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . 0.493 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 19.7 mmtt -101.51 -173.4 2.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 2.8300000000000001 109.264 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.0 mt -133.07 149.89 52.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 2.23 109.331 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 418' ' ' ILE . . . . . 0.622 HG23 ' CD1' ' A' ' 395' ' ' PHE . 0.9 OUTLIER -68.79 -47.12 77.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 1.6599999999999999 109.264 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 6.6 t -70.01 -25.29 63.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 1.3200000000000001 110.332 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -69.8 -64.01 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 1.5800000000000001 109.293 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -51.38 -54.75 23.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 2.3199999999999998 109.331 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 422' ' ' PHE . . . . . 0.662 ' O ' HD11 ' A' ' 425' ' ' ILE . 43.6 m-85 -121.26 109.88 15.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 2.5899999999999999 110.972 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -98.15 71.29 2.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 2.75 110.29 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . 0.725 ' CA ' HD11 ' A' ' 458' ' ' ILE . . . -160.79 24.49 0.26 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.132 . . . . 1.9099999999999999 111.006 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 425' ' ' ILE . . . . . 0.782 HD13 ' N ' ' A' ' 425' ' ' ILE . 0.2 OUTLIER -147.24 -48.18 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.503 0.767 . . . . 2.1699999999999999 109.279 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 426' ' ' GLY . . . . . 0.427 ' N ' HG12 ' A' ' 425' ' ' ILE . . . 130.34 179.67 16.22 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.453 1.095 . . . . 1.0800000000000001 111.053 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . 0.469 ' O ' HD13 ' A' ' 418' ' ' ILE . 18.2 Cg_endo -74.99 -29.36 8.31 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.517 1.798 . . . . 1.46 110.974 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.17 139.3 47.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 2.4700000000000002 109.23 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.33 167.46 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 1.9199999999999999 109.294 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 430' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 430' ' ' ASP . 0.2 OUTLIER -112.72 -50.52 2.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 2.9300000000000002 109.346 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 431' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 289' ' ' ASP . . . -153.62 149.22 27.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.90000000000000002 109.278 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.776 HG22 ' HB3' ' A' ' 442' ' ' PHE . 55.9 t -138.66 135.74 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.603 1.189 . . . . 3.1899999999999999 109.285 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 433' ' ' PHE . . . . . 0.544 ' CE2' HG22 ' A' ' 293' ' ' THR . 11.5 t80 -153.61 176.53 11.97 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.504 1.127 . . . . 6.7699999999999996 110.978 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 434' ' ' TYR . . . . . 0.612 ' O ' ' CD2' ' A' ' 434' ' ' TYR . 16.6 p90 -128.44 60.27 1.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 7.1900000000000004 111.026 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 435' ' ' SER . . . . . 0.503 ' HB3' ' CE2' ' A' ' 433' ' ' PHE . 94.8 p -89.57 96.55 10.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 3.5099999999999998 110.005 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 436' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? 173.37 -156.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 3.9300000000000002 109.296 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -87.64 -28.96 21.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 3.3900000000000001 109.277 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 438' ' ' LYS . . . . . 0.41 ' O ' ' CG ' ' A' ' 438' ' ' LYS . 0.0 OUTLIER 176.37 65.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 3.1400000000000001 109.312 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -152.44 171.0 18.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 2.2999999999999998 111.046 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -119.69 118.18 30.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 3.3599999999999999 110.977 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 441' ' ' TYR . . . . . 0.552 ' CD1' ' HG3' ' A' ' 450' ' ' GLU . 0.9 OUTLIER -107.68 129.97 54.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 2.1800000000000002 111.002 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . 0.776 ' HB3' HG22 ' A' ' 432' ' ' VAL . 0.1 OUTLIER -138.16 163.37 31.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 4.79 110.978 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 443' ' ' PHE . . . . . 0.724 ' CE1' HG11 ' A' ' 291' ' ' VAL . 44.2 m-85 -123.03 123.67 41.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 4.4000000000000004 110.989 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 444' ' ' GLN . . . . . 0.418 ' O ' ' ND2' ' A' ' 447' ' ' ASN . 0.1 OUTLIER -135.41 60.05 1.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 3.73 110.317 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 445' ' ' GLY . . . . . 0.401 ' O ' ' ND2' ' A' ' 447' ' ' ASN . . . 89.89 82.88 1.35 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.566 1.167 . . . . 3.8999999999999999 111.03 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 17.7 p 41.05 43.12 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.771 . . . . 2.1800000000000002 110.047 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 447' ' ' ASN . . . . . 0.552 ' HB3' ' CD1' ' A' ' 449' ' ' PHE . 77.7 m-20 -132.88 110.18 10.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 1.97 109.325 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 448' ' ' GLN . . . . . 0.594 ' OE1' ' CZ ' ' A' ' 443' ' ' PHE . 6.7 tp60 -103.52 63.49 0.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 2.7400000000000002 110.296 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 449' ' ' PHE . . . . . 0.552 ' CD1' ' HB3' ' A' ' 447' ' ' ASN . 8.9 m-85 -80.38 152.47 28.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 2.6200000000000001 110.973 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 0.552 ' HG3' ' CD1' ' A' ' 441' ' ' TYR . 6.0 tt0 -116.43 163.08 16.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 3.7799999999999998 110.306 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 451' ' ' TYR . . . . . 0.538 ' CE1' ' HA ' ' A' ' 456' ' ' GLN . 2.1 t80 -145.47 137.26 25.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 2.7000000000000002 110.926 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -107.0 137.59 44.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 4.1900000000000004 109.315 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -89.07 8.14 31.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 4.9100000000000001 110.985 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 28.7 tp -107.85 -15.98 14.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 4.8600000000000003 109.337 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.448 ' O ' ' CB ' ' A' ' 456' ' ' GLN . 67.6 mt -133.65 -44.35 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 3.8399999999999999 109.28 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 456' ' ' GLN . . . . . 0.538 ' HA ' ' CE1' ' A' ' 451' ' ' TYR . 1.5 mt-30 82.43 34.79 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 3.48 110.331 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -117.34 178.56 4.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 4.1299999999999999 110.358 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 458' ' ' ILE . . . . . 0.725 HD11 ' CA ' ' A' ' 424' ' ' GLY . 71.3 mt -113.33 114.52 47.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 1.6899999999999999 109.281 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 12.2 p -114.21 12.7 17.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 3.23 110.444 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 460' ' ' LYS . . . . . 0.418 ' HD2' HD22 ' A' ' 462' ' ' LEU . 1.2 mmtt -146.79 125.07 12.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 3.0600000000000001 109.279 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 461' ' ' THR . . . . . 0.721 HG22 ' O ' ' A' ' 461' ' ' THR . 1.4 m -141.94 59.57 1.48 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.469 1.106 . . . . 2.21 110.395 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 462' ' ' LEU . . . . . 0.696 HD12 ' HB3' ' A' ' 466' ' ' SER . 2.0 pt? -106.52 161.42 14.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 1.9399999999999999 109.29 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -90.73 150.83 21.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 3.8399999999999999 109.324 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -42.25 -37.32 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 1.8100000000000001 110.035 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 49.4 p30 -87.63 59.64 5.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 3.7599999999999998 109.284 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . 0.696 ' HB3' HD12 ' A' ' 462' ' ' LEU . 22.7 t -139.87 50.57 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 2.5499999999999998 109.999 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 467' ' ' TRP . . . . . 0.542 ' CG ' ' O ' ' A' ' 466' ' ' SER . 50.2 m95 -164.65 -44.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 4.1600000000000001 107.994 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 468' ' ' PHE . . . . . 0.645 ' CD1' HG22 ' A' ' 316' ' ' THR . 9.2 m-85 -69.62 -30.0 67.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 6.3099999999999996 110.988 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 109.79 61.76 0.51 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.492 1.12 . . . . 2.46 111.044 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 470' ' ' CYS . . . . . 1.151 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 N-CA-C 108.315 -0.994 . . . . 3.2599999999999998 108.315 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 281' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 282' ' ' CYS . 21.9 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.262 -0.644 . . . . 2.77 109.262 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 282' ' ' CYS . . . . . 1.058 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 0.8 OUTLIER 160.95 48.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 2.6000000000000001 108.32 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -175.47 130.33 0.41 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 3.1899999999999999 109.319 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 84.71 1.62 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.458 1.767 . . . . 1.8400000000000001 111.0 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -170.47 32.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 3.1800000000000002 109.319 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 286' ' ' LEU . . . . . 0.597 HD11 ' CH2' ' A' ' 307' ' ' TRP . 0.3 OUTLIER -101.22 127.08 47.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 2.8500000000000001 109.309 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.77 178.11 4.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.12 . . . . 3.1200000000000001 109.995 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 288' ' ' PHE . . . . . 0.449 ' CD2' ' CD1' ' A' ' 443' ' ' PHE . 51.4 m-85 -147.06 143.85 28.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 2.1400000000000001 111.044 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 289' ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' A' ' 431' ' ' ALA . 1.0 OUTLIER -104.2 -64.99 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 2.7400000000000002 109.3 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 290' ' ' ALA . . . . . 0.445 ' HB3' ' HB2' ' A' ' 301' ' ' PHE . . . -132.26 139.89 48.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.87 109.307 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 291' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 299' ' ' PHE . 2.8 p -147.34 140.32 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 2.4500000000000002 109.278 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . 0.603 ' HB ' ' HB1' ' A' ' 335' ' ' ALA . 4.5 t -135.86 164.64 27.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 1.22 110.397 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 38.5 p -120.0 131.67 55.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 3.0800000000000001 110.431 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 47.4 t -117.86 71.6 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 1.6599999999999999 109.307 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 89.22 -101.97 2.83 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.428 1.08 . . . . 2.2000000000000002 111.035 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -113.87 10.78 17.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 3.77 109.331 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.587 ' HA ' HG21 ' A' ' 310' ' ' VAL . 0.0 OUTLIER -108.39 178.0 4.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 3.1499999999999999 109.307 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 298' ' ' ILE . . . . . 0.441 ' C ' ' CD1' ' A' ' 299' ' ' PHE . 2.2 pt -143.93 151.35 16.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 1.8799999999999999 109.305 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 299' ' ' PHE . . . . . 0.733 ' O ' HG23 ' A' ' 291' ' ' VAL . 16.9 m-85 -140.11 142.6 36.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 2.7400000000000002 111.04 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 300' ' ' PHE . . . . . 0.437 ' CD1' ' N ' ' A' ' 300' ' ' PHE . 4.6 m-85 -130.23 136.53 49.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 2.6400000000000001 110.953 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 301' ' ' PHE . . . . . 0.572 ' CE2' HG13 ' A' ' 332' ' ' ILE . 69.7 m-85 -107.61 60.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 2.8100000000000001 111.005 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 302' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 301' ' ' PHE . 0.1 OUTLIER -36.16 -76.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 3.2400000000000002 109.305 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.67 -77.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 3.8500000000000001 109.297 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.17 -13.16 14.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 5.8099999999999996 110.332 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -114.65 156.03 25.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 2.3500000000000001 111.003 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 306' ' ' PHE . . . . . 0.587 ' CD1' ' O ' ' A' ' 306' ' ' PHE . 11.0 p90 -120.69 133.18 55.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 1.9099999999999999 111.013 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 307' ' ' TRP . . . . . 0.597 ' CH2' HD11 ' A' ' 286' ' ' LEU . 22.0 m0 -88.49 135.26 33.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 4.9699999999999998 108.006 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 308' ' ' LEU . 0.4 OUTLIER -135.79 88.3 2.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 2.1200000000000001 109.306 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 309' ' ' LYS . . . . . 0.471 ' CE ' ' HA ' ' A' ' 468' ' ' PHE . 1.3 ttpt -132.5 106.28 7.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 2.9700000000000002 109.296 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 310' ' ' VAL . . . . . 0.587 HG21 ' HA ' ' A' ' 297' ' ' LYS . 13.8 p -175.72 170.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 2.4900000000000002 109.3 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 311' ' ' SER . . . . . 0.513 ' N ' HG22 ' A' ' 310' ' ' VAL . 46.8 t 68.17 -80.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 4.1200000000000001 109.991 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 312' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 314' ' ' PRO . 11.6 mm-40 -126.48 -43.11 1.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 4.25 110.311 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 313' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 312' ' ' GLU . 13.3 mtt85 -36.4 97.42 0.13 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 4.46 110.28 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 314' ' ' PRO . . . . . 0.438 ' N ' ' O ' ' A' ' 312' ' ' GLU . 18.3 Cg_endo -74.96 -25.05 12.3 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 3.0699999999999998 110.978 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -116.74 144.08 44.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 3.0099999999999998 109.3 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . 0.529 HG21 ' CD1' ' A' ' 468' ' ' PHE . 18.8 p -75.14 165.04 25.84 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.531 1.145 . . . . 1.3999999999999999 110.409 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.05 166.8 12.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 1.8400000000000001 109.984 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 318' ' ' VAL . . . . . 0.558 ' O ' HG12 ' A' ' 318' ' ' VAL . 73.4 t -144.38 68.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 1.9099999999999999 109.309 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -107.72 173.35 6.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 1.9399999999999999 109.314 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.33 153.2 20.08 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.486 1.116 . . . . 1.6699999999999999 109.251 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 321' ' ' ILE . . . . . 0.515 HG22 ' N ' ' A' ' 322' ' ' SER . 1.8 mt -69.85 -75.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 1.01 109.273 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 322' ' ' SER . . . . . 0.515 ' N ' HG22 ' A' ' 321' ' ' ILE . 14.9 m -37.64 -41.22 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 2.0299999999999998 109.983 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.28 -33.29 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 1.6799999999999999 109.983 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.44 -80.4 0.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 1.96 109.278 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 325' ' ' TRP . . . . . 0.618 ' HB3' HD23 ' A' ' 328' ' ' LEU . 0.7 OUTLIER -55.6 150.22 26.59 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 107.976 -1.12 . . . . 2.7400000000000002 107.976 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -79.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.525 1.803 . . . . 1.21 111.019 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 327' ' ' THR . . . . . 0.968 ' O ' HD22 ' A' ' 328' ' ' LEU . 8.3 t -100.37 93.64 5.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 1.5 110.38 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 328' ' ' LEU . . . . . 0.968 HD22 ' O ' ' A' ' 327' ' ' THR . 2.8 mm? -140.8 137.36 17.14 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 1.28 109.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 329' ' ' PRO . . . . . 0.405 ' HD2' ' CD1' ' A' ' 328' ' ' LEU . 18.3 Cg_endo -75.03 161.82 38.07 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.499 1.789 . . . . 2.25 110.981 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 11.3 p -112.82 154.48 26.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 2.3199999999999998 110.007 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 62.23 53.57 41.31 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.475 1.109 . . . . 1.27 110.958 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.572 HG13 ' CE2' ' A' ' 301' ' ' PHE . 45.8 mm -53.46 138.34 12.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.42 0.718 . . . . 2.29 109.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.13 -39.63 17.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.093 . . . . 3.7000000000000002 110.245 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -152.68 122.78 7.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.87 109.326 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . 0.603 ' HB1' ' HB ' ' A' ' 292' ' ' THR . . . -102.25 126.65 49.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.91000000000000003 109.375 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 336' ' ' TYR . . . . . 0.463 ' HB2' ' HB3' ' A' ' 383' ' ' ALA . 0.7 OUTLIER -142.33 99.3 3.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 3.1400000000000001 110.977 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.5 159.64 30.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 3.4500000000000002 110.318 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 338' ' ' ILE . . . . . 0.439 HG22 ' H ' ' A' ' 341' ' ' ARG . 32.5 mt -127.73 130.44 70.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 3.0299999999999998 109.331 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -72.47 -39.09 68.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 3.96 110.335 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -60.99 -34.82 75.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 2.6600000000000001 109.263 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 341' ' ' ARG . . . . . 0.439 ' H ' HG22 ' A' ' 338' ' ' ILE . 0.3 OUTLIER -84.54 -21.33 30.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 3.7400000000000002 110.287 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 59.48 36.19 22.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 3.25 109.218 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -129.73 179.48 5.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.586 1.178 . . . . 3.9900000000000002 110.315 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 344' ' ' VAL . . . . . . . . . . . . . 56.7 t -145.81 142.73 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 1.7 109.308 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 345' ' ' PHE . . . . . 0.462 ' HE1' HD13 ' A' ' 354' ' ' LEU . 0.2 OUTLIER -145.11 91.7 2.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 4.2300000000000004 110.918 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.466 ' HB3' HD12 ' A' ' 332' ' ' ILE . 15.9 mt -84.28 162.0 20.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 2.5099999999999998 109.308 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -121.96 140.09 52.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 2.48 110.973 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 348' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -157.83 115.22 2.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.452 1.095 . . . . 4.5499999999999998 109.346 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 52.28 -152.15 0.26 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.577 1.173 . . . . 3.1499999999999999 109.316 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 350' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -86.23 44.46 1.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 2.9700000000000002 109.326 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -155.02 151.45 28.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 2.4199999999999999 109.301 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 352' ' ' TYR . . . . . 0.519 ' C ' ' CD1' ' A' ' 352' ' ' TYR . 3.2 p90 -139.11 146.29 40.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 3.3100000000000001 111.012 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -110.07 144.69 38.29 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.024 -1.102 . . . . 4.3899999999999997 108.024 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 354' ' ' LEU . . . . . 0.814 HD12 ' N ' ' A' ' 355' ' ' ILE . 5.2 tp -108.92 137.68 46.45 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.484 1.115 . . . . 1.8600000000000001 109.271 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.814 ' N ' HD12 ' A' ' 354' ' ' LEU . 1.3 mp -131.69 90.64 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 1.53 109.295 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 21.6 p -102.78 141.72 35.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 2.6099999999999999 110.007 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 357' ' ' ASN . . . . . 0.434 ' O ' HD23 ' A' ' 358' ' ' LEU . 19.7 m-20 60.89 39.97 16.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 3.8300000000000001 109.305 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 358' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 357' ' ' ASN . 0.3 OUTLIER 51.18 36.29 15.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 3.4900000000000002 109.249 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 12.1 mmm-85 -150.66 130.24 6.59 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.569 1.168 . . . . 4.0300000000000002 110.369 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 360' ' ' PRO . . . . . 0.42 ' HG2' HG22 ' A' ' 327' ' ' THR . 18.3 Cg_endo -74.99 159.01 41.91 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 1.48 111.004 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -78.54 158.25 76.35 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 3.1499999999999999 110.297 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 362' ' ' PRO . . . . . 0.556 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.4 Cg_endo -74.96 63.67 5.97 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.504 1.792 . . . . 2.1099999999999999 111.0 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 363' ' ' ASN . . . . . 0.556 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 7.5 m-20 86.22 103.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 4.6200000000000001 109.286 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 364' ' ' TYR . . . . . 0.568 ' CD2' ' HE3' ' A' ' 366' ' ' LYS . 0.1 OUTLIER -128.18 66.06 71.49 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 2.9500000000000002 110.968 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 365' ' ' PRO . . . . . 0.419 ' HD3' ' C ' ' A' ' 363' ' ' ASN . 18.2 Cg_endo -75.03 55.37 3.94 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.456 1.766 . . . . 1.6399999999999999 111.011 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 366' ' ' LYS . . . . . 0.568 ' HE3' ' CD2' ' A' ' 364' ' ' TYR . 0.2 OUTLIER -82.78 -179.69 7.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 2.2599999999999998 109.315 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 17.0 m -144.73 138.06 26.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 2.0699999999999998 109.995 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 18.8 pt -66.74 -11.39 13.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.45 1.094 . . . . 1.6599999999999999 109.292 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 369' ' ' HIS . . . . . 0.484 ' CA ' ' HB2' ' A' ' 373' ' ' PHE . 0.0 OUTLIER -70.27 -30.36 67.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 3.1499999999999999 109.559 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.87 -7.89 43.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 2.3700000000000001 110.027 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.03 8.67 40.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 5.7999999999999998 111.056 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . 143.12 -54.03 0.6 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.532 1.145 . . . . 4.1500000000000004 111.049 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 373' ' ' PHE . . . . . 0.484 ' HB2' ' CA ' ' A' ' 369' ' ' HIS . 37.7 t80 56.3 87.4 0.14 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.506 0.768 . . . . 5.1200000000000001 110.962 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 374' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.39 8.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 2.3799999999999999 111.025 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 59.59 74.99 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 7.1799999999999997 109.358 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 1.6 t80 179.32 -36.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 6.4000000000000004 110.991 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 377' ' ' VAL . . . . . 0.466 HG22 ' H ' ' A' ' 378' ' ' LYS . 0.8 OUTLIER -67.46 176.56 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 1.98 109.304 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 378' ' ' LYS . . . . . 0.466 ' H ' HG22 ' A' ' 377' ' ' VAL . 0.0 OUTLIER 179.77 -36.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 4.6799999999999997 109.317 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -150.64 138.53 19.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 1.6799999999999999 109.326 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 11.2 mt -101.41 145.0 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.126 . . . . 0.89000000000000001 109.349 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.7 -51.78 6.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 1.8400000000000001 109.321 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 382' ' ' ALA . . . . . 0.813 ' HB2' ' HA ' ' A' ' 431' ' ' ALA . . . -155.91 165.9 35.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.64000000000000001 109.203 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 383' ' ' ALA . . . . . 0.463 ' HB3' ' HB2' ' A' ' 336' ' ' TYR . . . -153.3 125.72 8.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.68999999999999995 109.27 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 46.9 t -149.94 159.51 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 2.7200000000000002 109.278 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -91.76 162.64 14.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 2.6899999999999999 111.044 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -116.84 95.92 47.63 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 2.4300000000000002 109.319 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 387' ' ' PRO . . . . . 0.557 ' HG3' ' CE2' ' A' ' 434' ' ' TYR . 18.3 Cg_endo -74.95 49.5 2.26 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.469 1.773 . . . . 4.6299999999999999 111.054 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 388' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 387' ' ' PRO . 0.4 OUTLIER -156.96 -39.07 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 3.6400000000000001 110.347 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.07 0.41 16.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 2.77 111.007 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 55.0 46.12 24.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 3.0899999999999999 110.966 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -140.25 152.31 45.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 2.8900000000000001 110.242 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 21.8 m -100.74 126.83 47.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.91000000000000003 110.402 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -84.59 135.7 34.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 2.5299999999999998 110.999 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -131.39 109.7 10.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 2.6200000000000001 111.06 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 395' ' ' PHE . . . . . 0.492 ' CD2' HG21 ' A' ' 429' ' ' ILE . 20.4 m-85 -100.76 131.99 46.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 1.21 110.988 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 396' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 398' ' ' ASN . 86.3 t -132.95 86.86 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 1.48 109.298 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 62.77 -84.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 4.8300000000000001 109.272 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 396' ' ' VAL . 4.5 m120 -129.58 44.51 2.96 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.475 1.11 . . . . 3.54 109.306 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.48 147.04 50.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 3.1600000000000001 110.291 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 400' ' ' TYR . . . . . 0.53 ' CE1' ' HG3' ' A' ' 402' ' ' ARG . 0.6 OUTLIER -128.65 85.95 2.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 2.5499999999999998 110.992 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -86.56 168.46 13.67 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.022 -1.103 . . . . 4.4500000000000002 108.022 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 402' ' ' ARG . . . . . 0.53 ' HG3' ' CE1' ' A' ' 400' ' ' TYR . 3.7 mtm180 -154.11 111.15 3.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 3.1699999999999999 110.279 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -90.11 130.01 36.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 4.96 111.012 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.51 123.16 27.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 2.3599999999999999 109.261 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.44 -50.01 6.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 2.9199999999999999 110.226 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -31.94 68.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 6.5499999999999998 110.274 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.58 -29.14 13.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 2.8599999999999999 110.274 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 67.12 43.41 2.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 3.3999999999999999 110.254 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 2.0 tpt -145.47 126.68 14.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 2.0299999999999998 111.029 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -67.27 135.48 53.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 3.0800000000000001 111.004 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.79 133.33 86.54 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 2.3799999999999999 109.271 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 412' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 413' ' ' GLY . 18.7 Cg_endo -74.97 118.62 5.33 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.803 . . . . 2.3700000000000001 111.022 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 413' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 412' ' ' PRO . . . 41.92 94.37 0.01 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.491 1.12 . . . . 1.99 110.95 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 414' ' ' TYR . . . . . 0.546 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 1.8 t80 -135.62 63.2 52.61 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 2.0800000000000001 110.992 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 415' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.5 Cg_endo -74.96 77.32 3.14 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.545 1.813 . . . . 1.71 111.003 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . 0.546 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 36.4 mmtt -96.61 173.26 7.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 2.5299999999999998 109.263 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -114.88 140.43 48.98 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.474 1.108 . . . . 2.0800000000000001 109.304 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 1.8 mp -70.07 -62.87 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.94999999999999996 109.323 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 12.5 t -37.83 -39.51 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.437 1.085 . . . . 1.2 110.411 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -65.43 -65.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 1.5 109.347 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . 0.579 ' OD1' ' CE2' ' A' ' 422' ' ' PHE . 25.9 t-20 -45.67 -35.3 4.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 2.29 109.362 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 422' ' ' PHE . . . . . 0.579 ' CE2' ' OD1' ' A' ' 421' ' ' ASN . 16.5 m-85 -150.89 117.75 5.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 2.7999999999999998 110.999 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -93.55 119.52 32.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 2.1600000000000001 110.341 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 149.64 -35.87 1.01 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.128 . . . . 1.9399999999999999 111.065 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 425' ' ' ILE . . . . . 0.541 ' H ' HD13 ' A' ' 425' ' ' ILE . 0.2 OUTLIER -86.7 -24.82 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.437 0.728 . . . . 2.3900000000000001 109.343 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 96.48 177.39 35.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.535 1.147 . . . . 1.03 110.966 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -9.35 20.8 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 1.3600000000000001 111.064 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.03 132.5 46.25 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.505 1.128 . . . . 4.1799999999999997 109.299 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 429' ' ' ILE . . . . . 0.495 ' CD1' ' O ' ' A' ' 431' ' ' ALA . 0.1 OUTLIER -127.16 140.77 48.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 2.1400000000000001 109.217 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 430' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 430' ' ' ASP . 0.9 OUTLIER -80.21 -64.31 1.22 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.084 . . . . 3.3199999999999998 109.338 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 431' ' ' ALA . . . . . 0.813 ' HA ' ' HB2' ' A' ' 382' ' ' ALA . . . -151.76 173.67 14.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.93000000000000005 109.21 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.507 HG12 ' CB ' ' A' ' 382' ' ' ALA . 2.3 p -160.36 146.93 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 1.97 109.31 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 433' ' ' PHE . . . . . 0.645 ' CE1' ' CZ ' ' A' ' 443' ' ' PHE . 3.7 p90 -148.23 154.95 40.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 2.6899999999999999 110.998 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 434' ' ' TYR . . . . . 0.557 ' CE2' ' HG3' ' A' ' 387' ' ' PRO . 63.7 t80 -121.09 89.06 3.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 3.4700000000000002 110.996 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.81 -8.6 10.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.39 1.056 . . . . 2.5800000000000001 110.012 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 436' ' ' LYS . . . . . 0.52 ' HD3' ' CD1' ' A' ' 441' ' ' TYR . 0.0 OUTLIER -69.69 -167.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 5.1100000000000003 109.327 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -99.41 -37.01 9.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 3.6400000000000001 109.333 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 438' ' ' LYS . . . . . 0.471 ' O ' ' CD1' ' A' ' 439' ' ' TYR . 0.6 OUTLIER -161.54 46.51 0.18 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 4.6399999999999997 109.289 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 439' ' ' TYR . . . . . 0.471 ' CD1' ' O ' ' A' ' 438' ' ' LYS . 20.0 m-85 -144.81 163.34 34.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 3.1800000000000002 110.972 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 440' ' ' TYR . . . . . 0.443 ' N ' ' CD1' ' A' ' 440' ' ' TYR . 10.1 m-85 -129.2 113.39 14.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 3.6299999999999999 110.979 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 441' ' ' TYR . . . . . 0.52 ' CD1' ' HD3' ' A' ' 436' ' ' LYS . 7.2 m-85 -94.51 143.62 26.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 3.5899999999999999 110.994 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . 0.409 ' CE1' HG21 ' A' ' 432' ' ' VAL . 97.9 m-85 -135.13 145.62 48.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 3.5800000000000001 110.971 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 443' ' ' PHE . . . . . 0.645 ' CZ ' ' CE1' ' A' ' 433' ' ' PHE . 66.2 m-85 -111.03 112.86 24.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 4.5599999999999996 110.995 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -125.86 82.2 2.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 3.3999999999999999 110.271 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 101.72 -95.59 1.36 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.139 . . . . 1.8799999999999999 110.961 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 446' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 286' ' ' LEU . 8.8 p -141.65 44.13 1.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 0.73 . . . . 2.1299999999999999 110.021 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -144.61 141.76 29.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 2.6099999999999999 109.256 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -129.97 71.8 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 4.5700000000000003 110.282 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 449' ' ' PHE . . . . . 0.516 ' HB3' HG23 ' A' ' 461' ' ' THR . 3.8 p90 -79.26 174.12 11.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 4.6299999999999999 111.021 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 0.477 ' HG3' ' CE1' ' A' ' 441' ' ' TYR . 40.2 tt0 -107.12 159.03 16.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 3.1899999999999999 110.298 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 451' ' ' TYR . . . . . 0.404 ' N ' ' HG2' ' A' ' 450' ' ' GLU . 16.1 t80 -137.5 128.21 27.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 3.04 110.968 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 452' ' ' ASP . . . . . 0.4 ' CB ' ' HB2' ' A' ' 455' ' ' LEU . 75.5 m-20 -91.91 139.28 30.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.162 . . . . 3.5699999999999998 109.321 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -88.29 -22.85 23.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.393 1.058 . . . . 3.4900000000000002 111.023 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 19.5 tp -95.79 -2.05 48.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 3.5899999999999999 109.231 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.509 ' HA ' HD23 ' A' ' 455' ' ' LEU . 4.7 mt -124.67 -42.67 2.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 3.4900000000000002 109.31 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 456' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' ' 455' ' ' LEU . 23.5 mt-30 77.44 17.8 1.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 2.9399999999999999 110.297 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.49 164.35 18.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 3.8799999999999999 110.266 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 458' ' ' ILE . . . . . 0.456 ' CG2' ' HB2' ' A' ' 449' ' ' PHE . 44.3 mt -98.02 112.24 29.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 2.0800000000000001 109.278 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 459' ' ' THR . . . . . 0.468 ' OG1' ' N ' ' A' ' 460' ' ' LYS . 39.0 p -69.96 -70.14 0.31 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 2.8100000000000001 110.339 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 460' ' ' LYS . . . . . 0.468 ' N ' ' OG1' ' A' ' 459' ' ' THR . 0.2 OUTLIER -110.92 147.43 34.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 5.5999999999999996 109.293 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 461' ' ' THR . . . . . 0.516 HG23 ' HB3' ' A' ' 449' ' ' PHE . 3.7 m -132.58 100.74 5.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 2.3900000000000001 110.409 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 462' ' ' LEU . . . . . 0.484 ' CB ' ' HB3' ' A' ' 466' ' ' SER . 1.1 mm? -84.01 179.65 7.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 3.8500000000000001 109.263 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 463' ' ' LYS . . . . . 0.421 ' C ' ' N ' ' A' ' 465' ' ' ASN . 0.0 OUTLIER -121.88 74.47 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 3.2000000000000002 109.312 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 44.92 25.35 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 2.1200000000000001 110.019 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 465' ' ' ASN . . . . . 0.421 ' N ' ' C ' ' A' ' 463' ' ' LYS . 9.3 m-80 -135.13 32.98 3.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 3.1200000000000001 109.329 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . 0.484 ' HB3' ' CB ' ' A' ' 462' ' ' LEU . 0.9 OUTLIER -100.15 33.44 2.63 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.15 . . . . 5.0999999999999996 110.026 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 467' ' ' TRP . . . . . 0.564 ' O ' ' CG ' ' A' ' 468' ' ' PHE . 4.4 m95 177.08 56.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 5.4100000000000001 108.025 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 468' ' ' PHE . . . . . 0.573 ' CE1' ' CZ3' ' A' ' 307' ' ' TRP . 86.3 m-85 -163.42 -41.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 6.8399999999999999 110.934 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 109.74 67.45 0.58 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.457 1.098 . . . . 2.8799999999999999 110.98 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 470' ' ' CYS . . . . . 1.058 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 1.1 m . . . . . 0 C--N 1.324 -0.519 0 N-CA-C 108.283 -1.006 . . . . 4.0199999999999996 108.283 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 281' ' ' LEU . . . . . 0.505 HD11 ' HE1' ' A' ' 307' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.299 -0.63 . . . . 3.71 109.299 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 282' ' ' CYS . . . . . 0.998 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 0.5 OUTLIER 178.75 42.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 3.7400000000000002 108.382 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.83 154.26 16.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 3.4700000000000002 109.298 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 56.9 4.38 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.532 1.806 . . . . 2.5899999999999999 111.073 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -165.11 55.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 3.1899999999999999 109.244 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 10.8 tp -108.33 148.09 30.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 2.8500000000000001 109.253 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 81.5 p -134.87 157.11 47.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 1.72 109.997 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -124.15 170.23 10.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 1.8899999999999999 111.047 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.42 -56.71 2.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 2.2599999999999998 109.261 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 290' ' ' ALA . . . . . 0.449 ' CB ' HG22 ' A' ' 332' ' ' ILE . . . -138.75 172.55 12.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.1499999999999999 109.285 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 291' ' ' VAL . . . . . 0.75 HG22 ' HB1' ' A' ' 431' ' ' ALA . 8.5 m -152.65 137.71 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 2.27 109.266 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . 0.414 ' HB ' ' CB ' ' A' ' 335' ' ' ALA . 0.6 OUTLIER -131.65 151.29 51.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 1.53 110.297 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 15.8 p -130.78 106.53 8.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 3.6800000000000002 110.363 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 98.7 t -121.81 84.93 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 2.3599999999999999 109.291 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 85.0 -120.03 5.19 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 1.9099999999999999 111.011 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 296' ' ' ASN . . . . . 0.677 ' O ' HG21 ' A' ' 310' ' ' VAL . 16.2 p-10 -108.01 11.3 27.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 0.756 . . . . 4.4800000000000004 109.279 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.41 145.79 31.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 2.6400000000000001 109.287 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 298' ' ' ILE . . . . . 0.599 HD12 ' HZ ' ' A' ' 300' ' ' PHE . 10.6 pt -132.44 151.52 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 1.96 109.321 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 299' ' ' PHE . . . . . 0.713 ' CE2' HD23 ' A' ' 308' ' ' LEU . 33.9 m-85 -141.91 150.16 41.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 2.3399999999999999 110.97 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 300' ' ' PHE . . . . . 0.599 ' HZ ' HD12 ' A' ' 298' ' ' ILE . 0.4 OUTLIER -143.39 104.66 4.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 2.77 111.004 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 301' ' ' PHE . . . . . 0.668 ' CD1' HD13 ' A' ' 332' ' ' ILE . 41.5 m-85 -81.68 155.86 25.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 2.3199999999999998 110.995 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 302' ' ' LYS . . . . . 0.443 ' HB2' ' CZ3' ' A' ' 307' ' ' TRP . 0.0 OUTLIER -127.06 -53.55 1.4 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 4.3799999999999999 109.253 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 303' ' ' ASP . . . . . 0.435 ' O ' ' HB2' ' A' ' 304' ' ' ARG . 19.5 t70 -165.3 79.76 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 4.75 109.292 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 304' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 303' ' ' ASP . 2.8 mmt-85 80.45 -10.27 1.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 6.5199999999999996 110.35 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 305' ' ' PHE . . . . . 0.536 ' CD2' HG12 ' A' ' 318' ' ' VAL . 8.5 m-85 -104.73 153.12 21.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 2.8100000000000001 110.966 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 306' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -121.05 146.41 46.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 2.1400000000000001 110.968 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 307' ' ' TRP . . . . . 0.576 ' CH2' HG13 ' A' ' 318' ' ' VAL . 1.3 m-90 -102.75 137.29 41.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 5.1100000000000003 107.975 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . 0.713 HD23 ' CE2' ' A' ' 299' ' ' PHE . 1.1 tm? -137.37 105.08 5.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 2.3199999999999998 109.246 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 309' ' ' LYS . . . . . 0.599 ' C ' HG12 ' A' ' 310' ' ' VAL . 0.8 OUTLIER -153.23 105.22 2.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 2.7999999999999998 109.273 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 310' ' ' VAL . . . . . 0.677 HG21 ' O ' ' A' ' 296' ' ' ASN . 0.2 OUTLIER 177.81 -72.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 2.5099999999999998 109.327 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 311' ' ' SER . . . . . 0.535 ' H ' HG13 ' A' ' 310' ' ' VAL . 33.2 p -37.33 -82.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 6.4500000000000002 110.062 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -145.73 66.08 1.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 7.1600000000000001 110.298 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 313' ' ' ARG . . . . . 0.556 ' HD3' HD12 ' A' ' 308' ' ' LEU . 0.0 OUTLIER -127.48 128.78 23.94 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 4.9699999999999998 110.266 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -37.16 2.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 2.6099999999999999 110.946 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 19.6 ttmt -139.88 163.95 31.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 4.0300000000000002 109.322 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 23.5 p -75.47 136.86 40.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 1.47 110.409 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.94 128.84 55.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 2.3999999999999999 109.995 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 318' ' ' VAL . . . . . 0.576 HG13 ' CH2' ' A' ' 307' ' ' TRP . 38.1 t -96.26 73.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 2.1099999999999999 109.282 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 319' ' ' ASN . . . . . 0.52 ' O ' ' CD2' ' A' ' 305' ' ' PHE . 2.0 m120 -96.76 179.64 4.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 2.4300000000000002 109.309 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 321' ' ' ILE . 10.3 tp -93.19 152.01 19.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.076 . . . . 2.1800000000000002 109.263 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 321' ' ' ILE . . . . . 0.407 ' N ' ' HG ' ' A' ' 320' ' ' LEU . 42.4 mt -67.36 -62.23 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 1.0700000000000001 109.286 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.61 -26.86 0.67 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 3.0699999999999998 109.985 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.51 -41.66 61.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 1.5 109.95 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.48 -76.29 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.594 1.184 . . . . 2.0699999999999998 109.256 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -48.79 153.04 1.54 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 1.75 108.05 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 326' ' ' PRO . . . . . 0.475 ' HG2' ' CG ' ' A' ' 360' ' ' PRO . 18.4 Cg_endo -75.0 -79.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.475 1.776 . . . . 1.26 110.996 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 327' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.0 96.52 4.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.42 1.075 . . . . 1.5600000000000001 110.422 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -113.03 161.72 25.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 1.3200000000000001 109.338 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -3.93 14.65 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.783 . . . . 2.75 111.006 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 330' ' ' SER . . . . . 0.565 ' O ' ' C ' ' A' ' 331' ' ' GLY . 0.9 OUTLIER 53.04 -162.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 2.71 109.961 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . 0.565 ' C ' ' O ' ' A' ' 330' ' ' SER . . . 21.54 61.91 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.519 1.137 . . . . 1.3300000000000001 110.976 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.668 HD13 ' CD1' ' A' ' 301' ' ' PHE . 4.1 mp -65.61 113.76 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 2.1400000000000001 109.268 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 333' ' ' GLU . . . . . 0.432 ' C ' ' HB2' ' A' ' 290' ' ' ALA . 73.1 mm-40 -81.92 -34.8 29.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 3.77 110.315 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -156.63 129.54 7.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 1.3700000000000001 109.252 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . 0.414 ' CB ' ' HB ' ' A' ' 292' ' ' THR . . . -109.33 149.99 28.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0800000000000001 109.273 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 336' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -140.39 160.0 40.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 3.6299999999999999 110.989 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -134.44 136.39 43.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 4.79 110.23 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 338' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 340' ' ' ALA . 0.5 OUTLIER -107.91 84.69 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 4.2199999999999998 109.327 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -67.13 73.19 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 4.4699999999999998 110.299 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 340' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 338' ' ' ILE . . . -156.52 -55.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 2.7000000000000002 109.35 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -112.91 10.11 18.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 4.6699999999999999 110.317 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 56.59 75.64 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 2.8399999999999999 109.353 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . 0.414 ' OE1' ' CE1' ' A' ' 345' ' ' PHE . 1.1 mt-30 -131.53 173.7 10.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 3.5600000000000001 110.314 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 344' ' ' VAL . . . . . . . . . . . . . 89.8 t -142.85 139.67 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 1.3 109.367 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 345' ' ' PHE . . . . . 0.414 ' CE1' ' OE1' ' A' ' 343' ' ' GLN . 44.0 m-85 -131.68 137.32 48.25 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.542 1.151 . . . . 2.6099999999999999 111.036 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.442 HD12 HG21 ' A' ' 332' ' ' ILE . 2.6 mm? -123.11 120.86 34.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 1.6799999999999999 109.305 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 347' ' ' PHE . . . . . 0.616 ' CG ' HD12 ' A' ' 380' ' ' ILE . 16.5 m-85 -87.67 138.19 31.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 2.9100000000000001 110.999 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 348' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.81 112.92 2.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 3.2599999999999998 109.334 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 3.2 t0 53.75 -151.0 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 3.0800000000000001 109.27 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 350' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 350' ' ' ASP . 2.5 p-10 -87.13 43.98 1.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 3.6400000000000001 109.324 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -151.31 149.41 29.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 1.6499999999999999 109.271 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 352' ' ' TYR . . . . . 0.575 ' C ' ' CD1' ' A' ' 352' ' ' TYR . 1.0 OUTLIER -130.49 154.31 47.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 3.7400000000000002 111.009 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -121.43 147.25 45.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.558 1.161 . . . . 5.9000000000000004 107.984 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 354' ' ' LEU . . . . . 0.825 HD12 ' N ' ' A' ' 355' ' ' ILE . 1.8 tp -114.33 138.02 51.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.568 1.168 . . . . 1.74 109.251 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.825 ' N ' HD12 ' A' ' 354' ' ' LEU . 2.0 mp -132.34 103.43 6.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 1.4399999999999999 109.319 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 33.0 t -111.36 136.11 50.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 2.3700000000000001 109.986 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 7.8 m120 58.08 44.98 18.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 3.1000000000000001 109.306 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 53.45 36.71 23.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 3.3199999999999998 109.32 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.7 129.29 6.46 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 3.3799999999999999 110.28 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 360' ' ' PRO . . . . . 0.475 ' CG ' ' HG2' ' A' ' 326' ' ' PRO . 18.4 Cg_endo -75.07 167.24 27.42 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.544 1.812 . . . . 1.77 111.003 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -76.49 159.86 78.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 2.8900000000000001 110.197 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 362' ' ' PRO . . . . . 0.56 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.0 Cg_endo -75.17 56.83 4.48 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.473 1.775 . . . . 1.8700000000000001 110.98 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 363' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 5.6 m-20 86.75 96.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 5.2800000000000002 109.371 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 364' ' ' TYR . . . . . 0.555 ' CD2' ' HE3' ' A' ' 366' ' ' LYS . 0.1 OUTLIER -127.99 64.82 66.94 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.375 1.047 . . . . 3.0699999999999998 111.005 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 365' ' ' PRO . . . . . 0.442 ' HD3' ' C ' ' A' ' 363' ' ' ASN . 18.3 Cg_endo -74.98 54.33 3.6 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.472 1.775 . . . . 1.76 110.983 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 366' ' ' LYS . . . . . 0.555 ' HE3' ' CD2' ' A' ' 364' ' ' TYR . 0.1 OUTLIER -84.48 179.28 7.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.098 . . . . 2.4100000000000001 109.284 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 5.0 m -136.15 132.77 36.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 2.3500000000000001 109.967 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 368' ' ' ILE . . . . . 0.428 HG23 ' HB3' ' A' ' 352' ' ' TYR . 39.0 pt -57.23 -25.19 22.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 2.1099999999999999 109.254 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -69.55 -26.57 64.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 3.6699999999999999 109.662 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.6 -9.85 39.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 2.6400000000000001 110.009 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -153.5 39.51 0.5 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.49 1.119 . . . . 6.8799999999999999 111.051 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 372' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -145.25 -67.11 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.498 1.124 . . . . 2.9300000000000002 111.011 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 373' ' ' PHE . . . . . 0.456 ' N ' ' HD3' ' A' ' 374' ' ' PRO . 1.3 t80 35.57 60.68 2.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.528 0.781 . . . . 5.8300000000000001 110.968 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 374' ' ' PRO . . . . . 0.659 ' HG2' HG13 ' A' ' 377' ' ' VAL . 18.5 Cg_endo -74.87 -88.01 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.553 1.818 . . . . 3.5 110.973 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -135.95 -46.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 6.5899999999999999 109.227 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -171.32 84.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 4.7000000000000002 111.045 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 377' ' ' VAL . . . . . 0.659 HG13 ' HG2' ' A' ' 374' ' ' PRO . 11.4 m -109.03 169.19 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 2.71 109.284 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.84 -34.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 2.8999999999999999 109.254 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.91 126.09 16.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 1.73 109.265 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 380' ' ' ILE . . . . . 0.616 HD12 ' CG ' ' A' ' 347' ' ' PHE . 38.9 mt -98.22 141.86 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 1.1599999999999999 109.271 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -87.02 -48.46 8.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 2.1000000000000001 109.377 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 382' ' ' ALA . . . . . 0.55 ' CB ' HG12 ' A' ' 432' ' ' VAL . . . -158.6 169.74 23.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.75 109.27 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -160.11 128.02 4.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.586 1.179 . . . . 0.80000000000000004 109.254 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . 0.43 HG22 ' N ' ' A' ' 385' ' ' PHE . 8.7 p -130.48 166.55 27.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 2.1800000000000002 109.285 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 385' ' ' PHE . . . . . 0.43 ' N ' HG22 ' A' ' 384' ' ' VAL . 31.6 t80 -117.19 131.72 56.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 1.8100000000000001 110.945 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -93.51 121.56 64.64 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 2.5499999999999998 109.318 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -43.65 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.538 1.81 . . . . 2.3999999999999999 111.004 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.2 44.43 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 2.52 110.259 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 389' ' ' PHE . . . . . 0.565 ' C ' ' CG ' ' A' ' 390' ' ' TYR . 0.1 OUTLIER -172.69 -37.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.588 1.18 . . . . 3.1400000000000001 111.065 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 390' ' ' TYR . . . . . 0.565 ' CG ' ' C ' ' A' ' 389' ' ' PHE . 3.0 m-85 72.33 39.79 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 2.3500000000000001 110.964 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -132.1 145.8 51.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 2.8100000000000001 110.355 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 29.5 m -102.47 114.17 28.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.80000000000000004 110.419 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . 0.406 ' CE2' ' OH ' ' A' ' 400' ' ' TYR . 13.0 m-85 -79.66 117.08 20.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 2.1699999999999999 110.96 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -102.4 127.69 49.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 2.1000000000000001 111.057 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 395' ' ' PHE . . . . . 0.423 ' HE2' HG23 ' A' ' 418' ' ' ILE . 53.1 m-85 -106.07 113.9 27.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 1.0800000000000001 110.909 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 93.6 t -134.8 122.64 38.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.147 . . . . 1.73 109.329 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 52.8 -151.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.406 1.066 . . . . 3.6400000000000001 109.224 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -87.72 49.21 1.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 3.46 109.271 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -148.06 163.16 37.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 3.3199999999999998 110.27 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 400' ' ' TYR . . . . . 0.545 ' CD1' ' C ' ' A' ' 400' ' ' TYR . 0.1 OUTLIER -132.27 120.13 21.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 2.23 111.001 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 6.0 m-90 -113.2 164.52 13.42 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.933 -1.136 . . . . 4.9900000000000002 107.933 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -146.51 126.99 14.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 3.0 110.355 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -101.09 147.26 26.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 6.3300000000000001 110.969 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.51 127.52 39.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 1.8200000000000001 109.362 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.52 -50.59 4.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 3.54 110.32 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -65.03 -28.97 69.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 6.7800000000000002 110.242 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 407' ' ' ARG . . . . . 0.428 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 1.5 mmt85 -91.7 -44.67 8.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 3.02 110.242 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . 0.428 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 14.8 tt0 81.0 39.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.085 . . . . 2.8300000000000001 110.334 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 4.5 tpt -144.69 111.16 5.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 3.2799999999999998 110.949 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.0 139.21 54.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 4.8399999999999999 110.952 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -94.33 112.09 56.18 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 3.9399999999999999 109.277 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -55.82 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.468 1.773 . . . . 4.8200000000000003 111.008 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . -74.16 64.16 2.04 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.501 1.125 . . . . 2.2200000000000002 111.039 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 414' ' ' TYR . . . . . 0.553 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 1.9 t80 -136.29 61.67 40.18 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.431 0.724 . . . . 2.3700000000000001 111.024 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 415' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -74.95 67.87 5.81 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.54 1.811 . . . . 1.6200000000000001 111.002 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . 0.553 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 18.0 mmtt -87.66 173.51 8.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 2.5600000000000001 109.333 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.98 153.86 39.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 1.9299999999999999 109.332 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 418' ' ' ILE . . . . . 0.727 HD13 ' O ' ' A' ' 427' ' ' PRO . 4.4 mp -69.95 -51.78 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.594 1.184 . . . . 1.29 109.293 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 17.2 m -57.28 -49.17 76.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 2.6499999999999999 110.439 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -50.24 -66.17 0.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 2.6699999999999999 109.3 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . 0.508 ' OD1' ' CE2' ' A' ' 422' ' ' PHE . 11.4 t-20 -42.01 -53.51 3.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 2.6099999999999999 109.284 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 422' ' ' PHE . . . . . 0.553 ' HB3' ' CE2' ' A' ' 451' ' ' TYR . 51.1 m-85 -131.67 99.64 4.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 2.75 111.01 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -78.7 110.75 14.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 2.4199999999999999 110.25 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . 0.49 ' HA3' ' CD1' ' A' ' 458' ' ' ILE . . . 131.6 41.76 0.2 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.558 1.161 . . . . 2.6499999999999999 110.946 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 425' ' ' ILE . . . . . 0.441 ' CD1' ' HB2' ' A' ' 422' ' ' PHE . 1.4 pt -147.16 -58.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.583 0.814 . . . . 2.2799999999999998 109.304 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 143.5 164.32 10.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.434 1.084 . . . . 1.1399999999999999 110.972 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . 0.727 ' O ' HD13 ' A' ' 418' ' ' ILE . 18.2 Cg_endo -75.05 -24.49 12.69 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.45 1.763 . . . . 1.1899999999999999 110.983 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.7 141.35 48.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 2.5 109.29 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 429' ' ' ILE . . . . . 0.53 HD12 ' HD1' ' A' ' 442' ' ' PHE . 1.5 mm -134.17 141.27 44.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 2.1000000000000001 109.272 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.99 -71.06 0.71 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 2.3100000000000001 109.307 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 431' ' ' ALA . . . . . 0.75 ' HB1' HG22 ' A' ' 291' ' ' VAL . . . -123.7 144.21 49.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 1.26 109.36 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.966 HG21 ' CE1' ' A' ' 442' ' ' PHE . 2.5 p -160.07 108.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 2.1299999999999999 109.308 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -118.26 166.95 12.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 2.5099999999999998 111.015 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 434' ' ' TYR . . . . . 0.428 ' O ' ' CD2' ' A' ' 434' ' ' TYR . 90.2 t80 -127.33 79.11 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 3.3599999999999999 111.02 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.72 -18.67 13.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 2.1899999999999999 109.964 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 436' ' ' LYS . . . . . 0.561 ' HE3' ' CE2' ' A' ' 441' ' ' TYR . 31.9 mmtt -71.3 -152.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 5.3899999999999997 109.306 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 437' ' ' ASN . . . . . 0.45 ' O ' ' CD2' ' A' ' 439' ' ' TYR . 21.5 t-20 -123.25 114.91 20.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 4.7699999999999996 109.268 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.96 29.48 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.074 . . . . 3.04 109.319 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 439' ' ' TYR . . . . . 0.45 ' CD2' ' O ' ' A' ' 437' ' ' ASN . 11.8 m-85 -131.04 144.76 51.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 2.21 111.0 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -118.87 127.86 53.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 3.3300000000000001 110.968 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 441' ' ' TYR . . . . . 0.561 ' CE2' ' HE3' ' A' ' 436' ' ' LYS . 3.4 m-30 -105.53 127.1 52.83 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.452 1.095 . . . . 2.73 111.021 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . 0.966 ' CE1' HG21 ' A' ' 432' ' ' VAL . 24.9 m-85 -124.12 140.42 52.98 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.122 . . . . 3.2400000000000002 111.06 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 443' ' ' PHE . . . . . 0.552 ' C ' ' CD1' ' A' ' 443' ' ' PHE . 0.1 OUTLIER -142.18 141.01 32.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 5.4299999999999997 110.986 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -152.39 69.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 4.1900000000000004 110.314 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 137.67 -89.7 0.21 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.539 1.149 . . . . 1.77 111.024 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 3.8 t -150.58 40.22 0.75 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.546 0.792 . . . . 2.0299999999999998 109.959 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -148.45 142.85 26.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 2.0699999999999998 109.284 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -121.37 97.06 5.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 3.2000000000000002 110.297 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -87.23 151.62 23.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 2.8999999999999999 110.957 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 0.401 ' HG2' ' N ' ' A' ' 451' ' ' TYR . 20.3 tt0 -117.56 143.65 45.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 3.4300000000000002 110.27 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 451' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 422' ' ' PHE . 1.2 t80 -121.63 113.19 19.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 2.9700000000000002 111.008 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -97.21 106.63 19.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 3.48 109.377 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -55.47 -17.09 4.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 3.3399999999999999 110.966 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 41.9 tp -41.3 -44.49 2.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 2.3300000000000001 109.271 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -164.92 30.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 2.4399999999999999 109.352 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 456' ' ' GLN . . . . . 0.47 ' HA ' ' CE1' ' A' ' 451' ' ' TYR . 3.4 mt-30 45.7 75.78 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 2.8100000000000001 110.302 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -136.82 121.42 18.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 4.8300000000000001 110.346 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 458' ' ' ILE . . . . . 0.49 ' CD1' ' HA3' ' A' ' 424' ' ' GLY . 3.0 mp -91.83 88.2 2.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 2.5299999999999998 109.304 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 9.5 t -113.25 44.4 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 4.1399999999999997 110.363 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.46 116.71 2.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 3.9500000000000002 109.31 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 54.8 m -138.86 79.71 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 2.5099999999999998 110.392 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -97.18 161.3 13.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 2.1299999999999999 109.316 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.75 146.51 24.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 3.1400000000000001 109.359 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 24.5 p -40.44 -42.51 1.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 1.97 109.997 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -99.34 72.99 1.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.402 1.064 . . . . 2.9100000000000001 109.364 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 4.2 t -120.37 -7.2 9.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 2.5499999999999998 109.979 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 467' ' ' TRP . . . . . 0.424 ' O ' ' C ' ' A' ' 468' ' ' PHE . 9.6 m95 -122.05 -70.18 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 4.3700000000000001 108.025 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 468' ' ' PHE . . . . . 0.424 ' C ' ' O ' ' A' ' 467' ' ' TRP . 18.4 m-85 -35.84 -50.6 0.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 7.9699999999999998 110.932 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . 0.416 ' O ' ' SG ' ' A' ' 470' ' ' CYS . . . 104.58 51.83 0.89 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.512 1.132 . . . . 3.25 110.985 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 470' ' ' CYS . . . . . 0.998 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 1.5 p . . . . . 0 C--N 1.324 -0.506 0 N-CA-C 108.265 -1.013 . . . . 7.8700000000000001 108.265 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 281' ' ' LEU . . . . . 0.423 ' HA ' HD23 ' A' ' 281' ' ' LEU . 11.4 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.314 -0.625 . . . . 2.8599999999999999 109.314 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 282' ' ' CYS . . . . . 1.055 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 0.1 OUTLIER -171.79 -60.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 4.1100000000000003 108.241 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 283' ' ' ASP . . . . . 0.437 ' O ' ' ND2' ' A' ' 285' ' ' ASN . 0.9 OUTLIER -69.14 146.88 97.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 3.6899999999999999 109.29 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 84.68 1.62 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.562 1.822 . . . . 1.6200000000000001 111.032 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 285' ' ' ASN . . . . . 0.495 ' ND2' ' N ' ' A' ' 285' ' ' ASN . 0.1 OUTLIER -167.19 32.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 2.8900000000000001 109.289 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 286' ' ' LEU . . . . . 0.588 HD13 ' N ' ' A' ' 287' ' ' SER . 3.1 tm? -106.53 139.26 41.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 3.7000000000000002 109.297 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 287' ' ' SER . . . . . 0.588 ' N ' HD13 ' A' ' 286' ' ' LEU . 2.2 p -123.26 153.33 40.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 1.5700000000000001 109.971 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 288' ' ' PHE . . . . . 0.543 ' CE2' ' CE2' ' A' ' 443' ' ' PHE . 18.5 m-85 -112.88 171.43 7.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 2.4399999999999999 111.022 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -145.23 -57.1 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 4.0899999999999999 109.274 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -126.51 122.02 33.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 1.3400000000000001 109.264 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 291' ' ' VAL . . . . . 0.534 HG13 ' CE1' ' A' ' 300' ' ' PHE . 63.2 t -131.21 134.25 61.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 2.0600000000000001 109.333 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 10.1 t -151.23 168.87 23.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 1.21 110.352 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 293' ' ' THR . . . . . 0.62 HG21 ' CB ' ' A' ' 435' ' ' SER . 22.7 p -122.64 166.66 14.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 2.5600000000000001 110.444 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 294' ' ' VAL . . . . . 0.552 ' O ' HG12 ' A' ' 294' ' ' VAL . 87.6 t -146.33 61.53 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.587 1.179 . . . . 1.9299999999999999 109.346 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 295' ' ' GLY . . . . . 0.475 ' O ' ' CB ' ' A' ' 296' ' ' ASN . . . 64.73 71.54 0.85 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.544 1.152 . . . . 3.0699999999999998 110.97 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 296' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 295' ' ' GLY . 1.9 t30 80.05 -2.93 1.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 3.6600000000000001 109.292 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.616 ' HA ' HG23 ' A' ' 310' ' ' VAL . 3.5 mtpp -103.53 162.0 13.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 2.75 109.34 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 298' ' ' ILE . . . . . 0.613 HG21 ' CZ ' ' A' ' 300' ' ' PHE . 5.2 mt -140.2 157.01 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 2.23 109.364 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 299' ' ' PHE . . . . . 0.849 ' CD1' HD23 ' A' ' 308' ' ' LEU . 63.2 m-85 -151.37 114.21 4.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 2.2000000000000002 110.99 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 300' ' ' PHE . . . . . 0.613 ' CZ ' HG21 ' A' ' 298' ' ' ILE . 21.8 m-85 -110.45 152.62 26.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 2.7599999999999998 111.001 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 301' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 301' ' ' PHE . 4.8 m-85 -136.96 163.58 30.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 3.1800000000000002 110.993 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 302' ' ' LYS . . . . . 0.495 ' HG3' ' CH2' ' A' ' 307' ' ' TRP . 0.9 OUTLIER -147.14 96.4 2.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 2.8900000000000001 109.32 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.21 -82.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.417 1.073 . . . . 3.4100000000000001 109.286 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.3 -12.81 7.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 6.2199999999999998 110.303 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 305' ' ' PHE . . . . . 0.404 ' CE1' HG12 ' A' ' 318' ' ' VAL . 0.1 OUTLIER -81.4 130.76 35.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 3.6600000000000001 111.054 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 306' ' ' PHE . . . . . 0.537 ' CD2' ' ND2' ' A' ' 319' ' ' ASN . 0.9 OUTLIER -112.37 106.55 15.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 3.77 110.952 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 307' ' ' TRP . . . . . 0.495 ' CH2' ' HG3' ' A' ' 302' ' ' LYS . 26.2 m0 -95.99 169.9 9.66 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.973 -1.121 . . . . 3.7400000000000002 107.973 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . 0.849 HD23 ' CD1' ' A' ' 299' ' ' PHE . 2.2 tm? -149.97 129.39 12.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 1.8700000000000001 109.353 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 309' ' ' LYS . . . . . 0.455 ' HG2' HG22 ' A' ' 316' ' ' THR . 4.7 tmtt? -139.19 128.18 23.69 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 3.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 310' ' ' VAL . . . . . 0.648 HG22 ' H ' ' A' ' 311' ' ' SER . 5.3 p -153.98 176.56 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 2.6200000000000001 109.271 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 311' ' ' SER . . . . . 0.648 ' H ' HG22 ' A' ' 310' ' ' VAL . 46.8 t 35.97 -153.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 4.4000000000000004 110.005 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 312' ' ' GLU . . . . . 0.537 ' O ' ' C ' ' A' ' 313' ' ' ARG . 5.3 pt-20 -90.95 13.93 15.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 6.3200000000000003 110.249 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 313' ' ' ARG . . . . . 0.537 ' C ' ' O ' ' A' ' 312' ' ' GLU . 0.1 OUTLIER -27.56 120.53 0.25 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 4.9800000000000004 110.284 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 2.47 6.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.452 1.764 . . . . 3.04 110.969 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -162.11 160.44 27.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 3.5099999999999998 109.309 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . 0.455 HG22 ' HG2' ' A' ' 309' ' ' LYS . 7.1 p -107.41 151.57 25.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 1.5700000000000001 110.438 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 22.8 t -83.69 160.34 21.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 2.6200000000000001 110.03 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 318' ' ' VAL . . . . . 0.404 HG12 ' CE1' ' A' ' 305' ' ' PHE . 5.6 t -131.48 79.14 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 2.96 109.305 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 319' ' ' ASN . . . . . 0.537 ' ND2' ' CD2' ' A' ' 306' ' ' PHE . 4.4 p-10 -111.49 -176.89 3.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 5.0099999999999998 109.27 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.06 160.21 24.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 2.0600000000000001 109.27 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 321' ' ' ILE . . . . . 0.505 HG22 ' N ' ' A' ' 322' ' ' SER . 1.9 mp -59.44 -81.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 1.4199999999999999 109.307 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 322' ' ' SER . . . . . 0.505 ' N ' HG22 ' A' ' 321' ' ' ILE . 9.4 p -41.86 -34.92 0.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 2.02 109.952 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 323' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 322' ' ' SER . 0.1 OUTLIER -37.28 -46.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 1.3600000000000001 110.02 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 1.9 mp -107.43 -66.75 1.0 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.433 1.083 . . . . 1.77 109.283 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 325' ' ' TRP . . . . . 0.802 ' HB3' HD23 ' A' ' 328' ' ' LEU . 0.9 OUTLIER -52.13 144.57 20.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 1.74 108.057 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -88.65 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.518 1.799 . . . . 1.1000000000000001 110.954 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 327' ' ' THR . . . . . 0.782 ' O ' HD22 ' A' ' 328' ' ' LEU . 3.3 t -101.2 95.3 6.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.168 . . . . 1.6399999999999999 110.412 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 328' ' ' LEU . . . . . 0.803 HD21 ' HG3' ' A' ' 360' ' ' PRO . 3.6 mm? -141.46 144.08 32.39 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 1.8200000000000001 109.3 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 329' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 328' ' ' LEU . 18.2 Cg_endo -75.04 162.65 36.69 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.592 1.838 . . . . 1.8100000000000001 111.044 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 3.2 p -102.42 144.49 30.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.624 1.203 . . . . 3.0600000000000001 109.979 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 73.55 60.69 3.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.457 1.098 . . . . 1.23 111.054 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.533 HD13 HD22 ' A' ' 346' ' ' LEU . 25.8 mt -53.25 139.2 11.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 1.73 109.306 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -82.3 -51.56 7.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.073 . . . . 2.54 110.286 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -144.73 115.32 7.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.80000000000000004 109.297 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -104.25 124.42 49.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 1.03 109.328 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 336' ' ' TYR . . . . . 0.63 ' CZ ' ' CB ' ' A' ' 345' ' ' PHE . 23.4 p90 -136.76 -179.81 5.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.441 1.088 . . . . 4.4900000000000002 110.982 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.75 152.92 47.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 3.8500000000000001 110.275 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 338' ' ' ILE . . . . . 0.701 HD12 ' CE1' ' A' ' 345' ' ' PHE . 98.1 mt -112.32 88.49 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 4.6799999999999997 109.307 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.17 66.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 3.6400000000000001 110.355 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 340' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 338' ' ' ILE . . . -139.42 -68.37 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 2.29 109.31 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -110.4 16.3 21.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 3.3999999999999999 110.291 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 4.3 t30 59.91 80.57 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 2.4199999999999999 109.298 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -131.82 174.65 9.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 3.7599999999999998 110.301 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 344' ' ' VAL . . . . . 0.471 ' O ' ' CD1' ' A' ' 345' ' ' PHE . 74.3 t -139.56 154.73 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 1.24 109.313 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 345' ' ' PHE . . . . . 0.701 ' CE1' HD12 ' A' ' 338' ' ' ILE . 52.8 m-85 -153.26 140.84 19.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 2.8700000000000001 110.945 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.533 HD22 HD13 ' A' ' 332' ' ' ILE . 9.1 mt -133.08 109.06 9.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 2.8799999999999999 109.279 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 347' ' ' PHE . . . . . 0.515 ' CE2' ' CE1' ' A' ' 336' ' ' TYR . 13.4 m-85 -80.71 145.97 31.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 2.3799999999999999 110.979 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 348' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.0 OUTLIER -163.51 121.31 1.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.421 1.076 . . . . 3.1699999999999999 109.29 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.8 t0 55.15 -151.84 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 3.1200000000000001 109.298 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 350' ' ' ASP . . . . . 0.437 ' O ' ' CG ' ' A' ' 350' ' ' ASP . 2.1 p-10 -86.09 41.77 0.94 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.461 1.101 . . . . 2.7000000000000002 109.312 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 19.7 mtmt -155.37 150.09 26.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 1.5900000000000001 109.285 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 352' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 366' ' ' LYS . 51.0 p90 -145.5 125.65 13.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.401 1.063 . . . . 2.75 110.988 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -90.45 155.75 18.7 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.941 -1.133 . . . . 4.0199999999999996 107.941 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 354' ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' ' 355' ' ' ILE . 0.1 OUTLIER -117.9 126.66 52.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 1.79 109.244 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.456 ' N ' HD12 ' A' ' 354' ' ' LEU . 1.2 mp -96.44 98.9 8.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 1.52 109.294 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 45.6 t -100.71 118.82 37.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 1.8799999999999999 110.03 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 60.29 45.97 10.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.097 . . . . 3.6600000000000001 109.247 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.66 33.76 23.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 2.9100000000000001 109.267 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.81 116.57 5.32 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 4.6900000000000004 110.278 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 360' ' ' PRO . . . . . 0.803 ' HG3' HD21 ' A' ' 328' ' ' LEU . 18.4 Cg_endo -74.94 108.06 2.63 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.433 1.754 . . . . 1.9299999999999999 111.084 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 361' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 360' ' ' PRO . 21.6 mm-40 -38.36 123.01 1.11 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 2.4199999999999999 110.377 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 135.38 19.05 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.532 1.806 . . . . 2.0499999999999998 111.022 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 363' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 64.67 60.76 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 3.9700000000000002 109.319 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 364' ' ' TYR . . . . . 0.564 ' CD2' ' HD2' ' A' ' 366' ' ' LYS . 0.1 OUTLIER -134.46 59.05 33.85 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 3.0099999999999998 111.045 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 365' ' ' PRO . . . . . 0.488 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -75.06 51.96 2.95 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.516 1.798 . . . . 1.3400000000000001 110.996 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 366' ' ' LYS . . . . . 0.567 ' HB3' ' CE1' ' A' ' 352' ' ' TYR . 0.1 OUTLIER -57.28 158.3 5.56 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 1.6000000000000001 109.31 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 2.0 m -135.96 130.68 34.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 1.75 110.0 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 368' ' ' ILE . . . . . 0.688 ' CD1' HG21 ' A' ' 377' ' ' VAL . 43.9 pt -54.16 -32.57 23.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.407 1.067 . . . . 1.6599999999999999 109.273 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -33.26 74.67 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.535 1.147 . . . . 2.75 109.542 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 370' ' ' SER . . . . . 0.505 ' O ' ' CG ' ' A' ' 371' ' ' PHE . 0.1 OUTLIER -56.43 -17.27 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 2.3399999999999999 109.987 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 371' ' ' PHE . . . . . 0.505 ' CG ' ' O ' ' A' ' 370' ' ' SER . 88.5 m-85 -162.91 53.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 7.0499999999999998 110.959 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . -151.38 -59.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.517 1.136 . . . . 3.02 111.049 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 373' ' ' PHE . . . . . 0.44 ' N ' ' HD3' ' A' ' 374' ' ' PRO . 2.1 t80 49.4 61.48 13.82 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.496 0.762 . . . . 7.2199999999999998 110.927 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 374' ' ' PRO . . . . . 0.44 ' HD3' ' N ' ' A' ' 373' ' ' PHE . 18.0 Cg_endo -74.96 -163.14 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.485 1.782 . . . . 2.23 111.055 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -85.2 -45.74 11.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 6.4000000000000004 109.298 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -168.99 83.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 4.6799999999999997 111.03 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 377' ' ' VAL . . . . . 0.688 HG21 ' CD1' ' A' ' 368' ' ' ILE . 7.1 p -94.61 168.4 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 2.4399999999999999 109.287 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 378' ' ' LYS . . . . . 0.454 ' HG2' ' N ' ' A' ' 379' ' ' LYS . 0.0 OUTLIER -178.22 -35.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.148 . . . . 6.1399999999999997 109.362 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 379' ' ' LYS . . . . . 0.454 ' N ' ' HG2' ' A' ' 378' ' ' LYS . 0.0 OUTLIER -159.01 134.36 8.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 2.04 109.372 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 17.6 mt -91.71 139.51 17.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 1.1399999999999999 109.273 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.74 -53.32 6.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 2.04 109.315 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 382' ' ' ALA . . . . . 0.768 ' HB1' HG22 ' A' ' 432' ' ' VAL . . . -159.2 166.88 30.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.80000000000000004 109.312 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -156.26 125.46 6.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.85999999999999999 109.319 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . 0.68 ' HB ' HG23 ' A' ' 432' ' ' VAL . 12.1 p -126.94 154.29 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 2.1699999999999999 109.339 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -114.39 117.9 32.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 2.7000000000000002 110.936 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -97.49 117.6 65.26 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 3.1499999999999999 109.304 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.12 -20.39 16.68 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.5 1.79 . . . . 2.2000000000000002 110.953 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -38.17 36.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.472 1.108 . . . . 3.04 110.292 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.08 -6.53 28.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.068 . . . . 3.1600000000000001 110.936 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 47.61 43.0 15.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 4.9299999999999997 110.993 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 391' ' ' ARG . . . . . 0.461 ' CZ ' ' OD1' ' A' ' 404' ' ' ASP . 12.4 mtt180 -144.79 154.31 42.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 3.0299999999999998 110.322 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 86.0 m -110.12 118.61 36.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 1.24 110.397 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -83.33 123.76 29.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 2.7200000000000002 111.056 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -110.11 133.71 52.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 2.29 111.026 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 395' ' ' PHE . . . . . 0.711 ' HE2' HG21 ' A' ' 432' ' ' VAL . 65.7 m-85 -114.36 129.7 56.66 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.56 1.163 . . . . 1.1699999999999999 111.073 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 96.5 t -118.32 87.74 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 1.72 109.314 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.84 -70.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 4.4400000000000004 109.29 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -148.53 58.29 1.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 3.7400000000000002 109.262 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -144.46 157.29 44.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 3.6200000000000001 110.304 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 400' ' ' TYR . . . . . 0.416 ' O ' ' CG ' ' A' ' 400' ' ' TYR . 21.7 t80 -122.87 87.31 2.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 2.2599999999999998 111.036 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 401' ' ' TRP . . . . . 0.573 ' CH2' ' O ' ' A' ' 411' ' ' ASP . 0.0 OUTLIER -82.76 166.91 18.66 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.996 -1.113 . . . . 6.1600000000000001 107.996 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -155.22 110.21 3.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.403 1.064 . . . . 2.6699999999999999 110.33 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 403' ' ' TYR . . . . . 0.535 ' CE1' ' O ' ' A' ' 404' ' ' ASP . 3.4 t80 -100.51 142.66 31.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 6.2999999999999998 111.018 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 404' ' ' ASP . . . . . 0.535 ' O ' ' CE1' ' A' ' 403' ' ' TYR . 0.7 OUTLIER -78.99 120.51 23.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 1.76 109.288 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -97.26 -44.12 7.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 3.0600000000000001 110.267 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.36 8.68 12.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 6.3099999999999996 110.287 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 407' ' ' ARG . . . . . 0.432 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.6 OUTLIER -131.13 -44.69 1.03 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.447 1.092 . . . . 5.2400000000000002 110.288 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . 0.432 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 0.9 OUTLIER 80.93 54.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 3.6200000000000001 110.321 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -152.65 98.28 2.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 3.1400000000000001 110.994 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.68 126.27 26.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 2.3500000000000001 111.003 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . 0.573 ' O ' ' CH2' ' A' ' 401' ' ' TRP . 1.5 m-20 -54.38 131.55 62.19 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 2.5899999999999999 109.33 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 117.02 4.77 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 2.3199999999999998 111.071 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 45.92 94.94 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.474 1.109 . . . . 1.99 110.995 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 414' ' ' TYR . . . . . 0.543 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 2.0 t80 -132.33 62.56 63.94 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.78 . . . . 1.8300000000000001 110.981 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 415' ' ' PRO . . . . . 0.429 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.4 Cg_endo -74.99 72.74 4.54 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.526 1.803 . . . . 2.0 111.0 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . 0.543 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 3.3 mmtt -90.02 -171.46 3.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 2.9500000000000002 109.289 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 1.3 mt -138.2 144.96 40.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 2.6899999999999999 109.326 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 418' ' ' ILE . . . . . 0.57 HG12 ' CD1' ' A' ' 395' ' ' PHE . 2.4 mp -69.15 -67.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 1.1699999999999999 109.282 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 7.4 t -42.0 -33.18 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 1.29 110.383 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -70.01 -69.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 2.0299999999999998 109.277 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -44.86 -43.81 9.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 2.2200000000000002 109.399 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 422' ' ' PHE . . . . . 0.488 ' CB ' HD13 ' A' ' 425' ' ' ILE . 51.8 m-85 -132.9 112.69 12.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 2.3500000000000001 110.973 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -86.82 121.23 29.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 2.2599999999999998 110.339 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . 0.59 ' HA3' HD12 ' A' ' 458' ' ' ILE . . . 133.97 -29.71 3.05 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.476 1.11 . . . . 1.5900000000000001 111.019 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 425' ' ' ILE . . . . . 0.488 HD13 ' CB ' ' A' ' 422' ' ' PHE . 3.8 mp -73.37 -76.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 2.6099999999999999 109.344 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 151.74 162.7 10.96 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.586 1.179 . . . . 0.88 111.004 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -15.06 20.92 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.447 1.762 . . . . 1.1699999999999999 110.96 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.485 ' O ' ' CG ' ' A' ' 444' ' ' GLN . 8.3 mttt -131.79 132.63 43.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 2.71 109.33 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 429' ' ' ILE . . . . . 0.587 HD11 ' CD1' ' A' ' 442' ' ' PHE . 1.0 OUTLIER -121.21 159.42 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 1.54 109.326 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -107.38 -63.34 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 2.2599999999999998 109.315 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -141.54 146.49 36.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.82999999999999996 109.342 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.768 HG22 ' HB1' ' A' ' 382' ' ' ALA . 10.9 m -137.71 145.41 29.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 2.8399999999999999 109.335 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 433' ' ' PHE . . . . . 0.566 ' CZ ' ' CB ' ' A' ' 441' ' ' TYR . 6.0 p90 -155.09 176.76 12.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 2.75 111.068 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -146.09 88.45 1.81 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.528 1.143 . . . . 3.7000000000000002 111.053 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 435' ' ' SER . . . . . 0.62 ' CB ' HG21 ' A' ' 293' ' ' THR . 0.1 OUTLIER -114.52 -12.78 12.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 2.8500000000000001 109.976 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 436' ' ' LYS . . . . . 0.506 ' HE2' ' CE1' ' A' ' 441' ' ' TYR . 28.5 mmmt -69.33 -166.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.556 1.16 . . . . 4.1100000000000003 109.297 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -96.5 -38.87 9.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 3.4500000000000002 109.221 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.64 50.42 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 3.0899999999999999 109.277 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -145.99 161.7 39.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 2.4700000000000002 110.99 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -124.7 105.86 9.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 3.1000000000000001 110.97 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 441' ' ' TYR . . . . . 0.566 ' CB ' ' CZ ' ' A' ' 433' ' ' PHE . 3.2 m-30 -86.43 102.56 14.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 3.21 110.995 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . 0.671 ' HD1' HG12 ' A' ' 432' ' ' VAL . 35.9 m-85 -98.13 144.98 27.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 3.3199999999999998 111.007 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 443' ' ' PHE . . . . . 0.635 ' CE2' ' NE2' ' A' ' 448' ' ' GLN . 2.7 m-85 -120.88 118.92 31.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 3.9399999999999999 110.959 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 444' ' ' GLN . . . . . 0.485 ' CG ' ' O ' ' A' ' 428' ' ' LYS . 3.9 tm0? -133.02 77.22 1.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 3.5800000000000001 110.274 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 100.31 -106.79 3.2 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.406 1.067 . . . . 1.6899999999999999 111.004 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 27.1 p -127.7 31.57 5.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 0.735 . . . . 2.4199999999999999 110.019 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -142.42 130.44 21.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 2.4500000000000002 109.336 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 448' ' ' GLN . . . . . 0.635 ' NE2' ' CE2' ' A' ' 443' ' ' PHE . 44.8 tt0 -111.52 117.31 32.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 2.4700000000000002 110.3 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 449' ' ' PHE . . . . . 0.501 ' CD1' HG22 ' A' ' 461' ' ' THR . 55.6 m-85 -105.02 142.91 33.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 2.8999999999999999 111.035 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -110.25 126.96 54.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 3.9300000000000002 110.316 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -108.22 121.52 45.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.386 1.054 . . . . 3.3999999999999999 110.962 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -111.59 126.46 55.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 3.0099999999999998 109.225 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -70.58 -11.72 61.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 3.2200000000000002 110.959 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 14.7 tp -43.71 -38.46 3.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 2.5 109.284 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -167.43 31.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 2.1800000000000002 109.293 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 41.25 68.04 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 2.8799999999999999 110.306 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -142.51 132.58 24.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.537 1.148 . . . . 3.5499999999999998 110.307 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 458' ' ' ILE . . . . . 0.59 HD12 ' HA3' ' A' ' 424' ' ' GLY . 88.2 mt -94.65 82.87 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.411 1.07 . . . . 1.9199999999999999 109.275 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 10.2 t -102.22 36.01 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 4.3200000000000003 110.476 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.61 109.95 3.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.152 . . . . 3.6099999999999999 109.326 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 461' ' ' THR . . . . . 0.501 HG22 ' CD1' ' A' ' 449' ' ' PHE . 7.5 p -124.93 109.59 13.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 2.23 110.454 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 462' ' ' LEU . . . . . 0.885 HD12 ' HB3' ' A' ' 466' ' ' SER . 1.4 pt? -131.77 155.85 47.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 2.46 109.376 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -93.29 156.54 16.75 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.461 1.1 . . . . 2.5800000000000001 109.259 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 464' ' ' SER . . . . . 0.449 ' HB2' ' CE1' ' A' ' 443' ' ' PHE . 1.9 t -48.74 -28.01 3.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 1.96 109.949 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -100.25 58.85 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 3.52 109.299 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . 0.885 ' HB3' HD12 ' A' ' 462' ' ' LEU . 11.4 t -113.56 -21.88 10.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 2.6400000000000001 110.056 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -138.96 -59.87 0.59 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.552 1.158 . . . . 5.0800000000000001 108.006 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 468' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -52.26 -61.41 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.603 1.19 . . . . 10.31 110.984 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -84.98 -82.1 1.06 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.544 1.152 . . . . 4.5300000000000002 110.995 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 470' ' ' CYS . . . . . 1.055 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 40.9 m . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 108.289 -1.004 . . . . 5.9199999999999999 108.289 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 281' ' ' LEU . . . . . . . . . . . . . 7.8 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.247 -0.649 . . . . 2.5099999999999998 109.247 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 282' ' ' CYS . . . . . 1.069 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 0.1 OUTLIER 174.94 -76.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 3.6299999999999999 108.33 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -58.94 142.37 85.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 2.7999999999999998 109.315 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.14 78.37 2.95 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.478 1.778 . . . . 1.9099999999999999 110.975 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -154.18 34.35 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 2.8100000000000001 109.313 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 286' ' ' LEU . . . . . 0.581 ' CD2' ' CZ ' ' A' ' 288' ' ' PHE . 6.4 tt -104.27 143.68 32.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 2.7000000000000002 109.314 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 73.6 p -142.34 157.05 45.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.4299999999999999 109.997 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 288' ' ' PHE . . . . . 0.581 ' CZ ' ' CD2' ' A' ' 286' ' ' LEU . 81.9 m-85 -127.02 151.88 48.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 2.5099999999999998 110.996 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -87.72 -50.23 6.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 2.4199999999999999 109.274 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 290' ' ' ALA . . . . . 0.675 ' HB2' ' O ' ' A' ' 332' ' ' ILE . . . -142.27 169.21 18.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.77000000000000002 109.295 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 291' ' ' VAL . . . . . 0.474 HG13 ' O ' ' A' ' 290' ' ' ALA . 6.6 m -153.41 139.46 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 1.96 109.304 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 22.9 m -138.72 144.16 39.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 2.4399999999999999 110.425 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 14.8 t -106.87 146.74 30.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 2.1099999999999999 110.444 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 92.6 t -136.39 112.26 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 2.1699999999999999 109.218 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 55.6 -94.2 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.446 1.091 . . . . 1.73 110.993 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -128.82 29.27 5.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 0.774 . . . . 3.46 109.326 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.467 ' HA ' HG21 ' A' ' 310' ' ' VAL . 3.0 mppt? -129.74 169.28 15.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 2.8100000000000001 109.341 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 298' ' ' ILE . . . . . 0.875 ' H ' HG11 ' A' ' 310' ' ' VAL . 1.6 pt -132.01 167.9 25.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.582 1.176 . . . . 2.3300000000000001 109.293 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -145.7 133.65 21.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 2.3599999999999999 111.002 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 300' ' ' PHE . . . . . 0.479 ' HB3' ' CE1' ' A' ' 288' ' ' PHE . 57.7 m-85 -112.14 113.9 26.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 2.3900000000000001 110.986 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -84.97 132.79 34.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.46 1.1 . . . . 2.29 111.043 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 302' ' ' LYS . . . . . 0.495 ' HG3' ' CE3' ' A' ' 307' ' ' TRP . 1.8 mmmm -131.47 72.99 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 5.2999999999999998 109.261 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 42.7 t0 67.41 -68.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 3.1499999999999999 109.303 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 304' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 302' ' ' LYS . 0.0 OUTLIER -133.08 -32.92 1.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 4.0999999999999996 110.293 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 305' ' ' PHE . . . . . 0.436 ' N ' ' HG2' ' A' ' 304' ' ' ARG . 56.5 m-85 -86.62 145.2 26.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 2.5 111.007 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 306' ' ' PHE . . . . . 0.56 ' CZ ' ' HB2' ' A' ' 319' ' ' ASN . 30.5 p90 -124.93 141.47 52.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 1.8899999999999999 110.951 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 307' ' ' TRP . . . . . 0.495 ' CE3' ' HG3' ' A' ' 302' ' ' LYS . 1.3 m-90 -97.9 142.64 29.39 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.981 -1.118 . . . . 4.5999999999999996 107.981 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . 0.472 HD22 ' HA ' ' A' ' 308' ' ' LEU . 0.2 OUTLIER -125.11 116.59 22.3 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.507 1.129 . . . . 1.8500000000000001 109.272 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 309' ' ' LYS . . . . . 0.608 ' CB ' HG22 ' A' ' 316' ' ' THR . 0.4 OUTLIER -171.47 102.21 0.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.395 1.059 . . . . 3.23 109.281 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 310' ' ' VAL . . . . . 0.875 HG11 ' H ' ' A' ' 298' ' ' ILE . 5.5 p -172.43 163.5 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 124.437 1.086 . . . . 2.0899999999999999 109.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 311' ' ' SER . . . . . 0.472 ' N ' HG22 ' A' ' 310' ' ' VAL . 24.5 t 68.71 -74.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.138 . . . . 3.7999999999999998 110.027 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -157.55 78.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 5.0999999999999996 110.305 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.43 134.58 23.43 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.632 1.207 . . . . 4.7400000000000002 110.304 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -38.79 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.559 1.82 . . . . 2.23 110.995 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.01 159.15 44.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 4.0499999999999998 109.308 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . 0.608 HG22 ' CB ' ' A' ' 309' ' ' LYS . 80.7 p -79.52 128.77 33.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 1.2 110.456 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.81 170.97 15.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 1.8999999999999999 110.02 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 318' ' ' VAL . . . . . 0.59 ' O ' HG12 ' A' ' 318' ' ' VAL . 19.4 t -145.59 79.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 1.96 109.384 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 319' ' ' ASN . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 306' ' ' PHE . 2.9 m120 -110.17 176.56 5.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 1.9199999999999999 109.321 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.84 120.23 40.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 2.0499999999999998 109.303 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 321' ' ' ILE . . . . . 0.613 HD12 ' HB3' ' A' ' 330' ' ' SER . 71.9 mt -42.12 -59.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 1.5800000000000001 109.268 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.24 -42.46 9.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.16 . . . . 2.8700000000000001 109.984 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.88 -31.6 50.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 1.73 110.026 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 321' ' ' ILE . 0.4 OUTLIER -94.61 -83.94 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 2.8100000000000001 109.263 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 325' ' ' TRP . . . . . 0.612 ' CE3' HD12 ' A' ' 328' ' ' LEU . 0.1 OUTLIER -49.2 148.61 4.21 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 107.994 -1.113 . . . . 2.0600000000000001 107.994 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 326' ' ' PRO . . . . . 0.441 ' HG2' ' CG ' ' A' ' 360' ' ' PRO . 18.4 Cg_endo -75.02 -90.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.519 1.8 . . . . 0.94999999999999996 111.002 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 327' ' ' THR . . . . . . . . . . . . . 12.7 t -92.04 -0.28 57.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 1.8300000000000001 110.343 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 328' ' ' LEU . . . . . 1.137 HD21 HD11 ' A' ' 355' ' ' ILE . 0.2 OUTLIER -62.78 132.19 94.65 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 2.1899999999999999 109.249 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 329' ' ' PRO . . . . . 0.966 ' HD2' HD13 ' A' ' 328' ' ' LEU . 18.2 Cg_endo -75.03 -173.23 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.508 1.794 . . . . 3.25 110.999 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 330' ' ' SER . . . . . 0.613 ' HB3' HD12 ' A' ' 321' ' ' ILE . 1.5 m -140.54 172.17 13.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 3.6200000000000001 110.013 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 51.3 51.04 38.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.507 1.13 . . . . 2.1099999999999999 110.98 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.675 ' O ' ' HB2' ' A' ' 290' ' ' ALA . 2.4 mp -67.52 156.41 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 0.736 . . . . 1.8600000000000001 109.301 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -84.86 -50.28 7.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 2.7999999999999998 110.312 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 334' ' ' ALA . . . . . 0.739 ' HB1' ' HB3' ' A' ' 383' ' ' ALA . . . -139.08 122.25 16.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 1.3400000000000001 109.282 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -138.01 144.06 40.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 1.3300000000000001 109.358 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 336' ' ' TYR . . . . . 0.982 ' OH ' HD11 ' A' ' 338' ' ' ILE . 3.1 p90 -155.41 133.09 11.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 2.8900000000000001 110.982 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.05 144.34 29.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 4.0 110.219 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 338' ' ' ILE . . . . . 0.982 HD11 ' OH ' ' A' ' 336' ' ' TYR . 95.4 mt -116.37 88.52 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.569 1.168 . . . . 3.5600000000000001 109.252 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.98 86.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 3.5899999999999999 110.279 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -159.28 -52.0 0.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.421 1.076 . . . . 1.8999999999999999 109.262 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -116.93 8.77 13.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 7.1600000000000001 110.309 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 64.6 t30 57.48 68.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 2.5899999999999999 109.373 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -145.09 151.56 38.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 3.0800000000000001 110.295 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 344' ' ' VAL . . . . . 0.632 HG12 ' CD2' ' A' ' 346' ' ' LEU . 20.0 t -102.77 149.95 6.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.111 . . . . 1.3100000000000001 109.319 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 345' ' ' PHE . . . . . 0.926 ' CE1' HD12 ' A' ' 338' ' ' ILE . 79.8 m-85 -136.05 128.04 29.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 4.1200000000000001 111.071 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.831 HD11 HD11 ' A' ' 328' ' ' LEU . 0.2 OUTLIER -154.55 133.04 12.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 2.2599999999999998 109.287 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 347' ' ' PHE . . . . . 0.595 ' N ' ' CD1' ' A' ' 347' ' ' PHE . 0.3 OUTLIER -135.04 60.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 4.2699999999999996 111.08 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 348' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 350' ' ' ASP . 0.2 OUTLIER -50.17 150.47 2.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 2.8100000000000001 109.221 -179.873 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 378' ' ' LYS . 1.2 m-20 44.56 -95.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 4.2000000000000002 109.371 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 350' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 348' ' ' LYS . 2.9 p30 -141.59 15.82 2.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 3.4100000000000001 109.323 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -120.78 138.18 54.15 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 2.3700000000000001 109.311 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 352' ' ' TYR . . . . . 0.55 ' CB ' ' CD2' ' A' ' 347' ' ' PHE . 43.4 p90 -138.0 157.95 45.32 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.538 1.148 . . . . 3.3300000000000001 110.989 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 353' ' ' TRP . . . . . 0.505 ' CH2' ' HG3' ' A' ' 329' ' ' PRO . 5.6 m-90 -127.55 165.59 19.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 4.8099999999999996 108.052 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 354' ' ' LEU . . . . . 0.571 HD11 ' OG ' ' A' ' 356' ' ' SER . 0.1 OUTLIER -124.05 118.39 26.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 2.4100000000000001 109.355 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 1.137 HD11 HD21 ' A' ' 328' ' ' LEU . 1.9 mp -98.77 105.34 17.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 1.5700000000000001 109.261 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 356' ' ' SER . . . . . 0.571 ' OG ' HD11 ' A' ' 354' ' ' LEU . 0.7 OUTLIER -114.89 117.21 30.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.57 1.169 . . . . 2.3900000000000001 109.95 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 357' ' ' ASN . . . . . 0.413 ' O ' HD23 ' A' ' 358' ' ' LEU . 28.4 t30 71.08 50.97 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 4.1500000000000004 109.302 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 358' ' ' LEU . . . . . 0.413 HD23 ' O ' ' A' ' 357' ' ' ASN . 0.3 OUTLIER 51.23 23.44 1.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 3.1299999999999999 109.332 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 359' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 356' ' ' SER . 0.1 OUTLIER -139.17 133.0 15.97 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 4.8300000000000001 110.345 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 360' ' ' PRO . . . . . 0.595 ' HB3' HD23 ' A' ' 328' ' ' LEU . 18.3 Cg_endo -75.03 176.54 9.79 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.541 1.811 . . . . 1.6499999999999999 110.944 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 361' ' ' GLU . . . . . 0.597 ' OE1' ' CE1' ' A' ' 364' ' ' TYR . 0.7 OUTLIER -80.54 152.74 73.12 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.541 1.151 . . . . 3.1200000000000001 110.342 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 362' ' ' PRO . . . . . 0.451 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.1 Cg_endo -74.97 70.01 5.38 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.481 1.78 . . . . 2.0299999999999998 110.958 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 363' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 0.7 OUTLIER 78.68 91.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 4.5800000000000001 109.267 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 364' ' ' TYR . . . . . 0.597 ' CE1' ' OE1' ' A' ' 361' ' ' GLU . 0.1 OUTLIER -125.28 67.89 56.89 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 3.0699999999999998 110.969 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 365' ' ' PRO . . . . . 0.439 ' HD3' ' C ' ' A' ' 363' ' ' ASN . 17.9 Cg_endo -75.04 56.41 4.27 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.562 1.822 . . . . 1.6299999999999999 110.938 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 366' ' ' LYS . . . . . 0.575 ' HE3' ' CD1' ' A' ' 364' ' ' TYR . 18.3 mmtt -79.84 170.66 16.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 3.2599999999999998 109.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 367' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 350' ' ' ASP . 0.5 OUTLIER -139.43 133.57 31.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 2.6800000000000002 110.005 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 42.5 pt -54.02 -20.41 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 1.6299999999999999 109.274 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 369' ' ' HIS . . . . . 0.484 ' C ' ' CD2' ' A' ' 369' ' ' HIS . 0.4 OUTLIER -60.92 -14.59 23.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 3.6699999999999999 109.553 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 45.4 m -63.0 -14.36 46.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 2.54 110.034 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 175.08 66.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 6.2999999999999998 110.985 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 372' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 374' ' ' PRO . . . -178.47 -60.77 0.07 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.547 1.154 . . . . 2.7999999999999998 110.988 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 373' ' ' PHE . . . . . 0.592 ' CZ ' ' HA ' ' A' ' 375' ' ' ASN . 25.7 t80 -35.17 95.79 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.449 0.735 . . . . 5.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 374' ' ' PRO . . . . . 0.532 ' O ' ' CB ' ' A' ' 375' ' ' ASN . 18.3 Cg_endo -75.03 8.96 2.19 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.517 1.799 . . . . 2.3500000000000001 111.01 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 375' ' ' ASN . . . . . 0.592 ' HA ' ' CZ ' ' A' ' 373' ' ' PHE . 9.3 t30 84.1 29.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 6.8099999999999996 109.372 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -151.94 -59.92 0.16 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 5.3200000000000003 111.031 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 377' ' ' VAL . . . . . 0.52 HG12 ' N ' ' A' ' 378' ' ' LYS . 84.3 t -49.68 166.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 2.6600000000000001 109.34 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 378' ' ' LYS . . . . . 0.52 ' N ' HG12 ' A' ' 377' ' ' VAL . 0.0 OUTLIER -175.22 -39.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 3.6400000000000001 109.246 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.44 124.56 32.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 2.5499999999999998 109.304 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 380' ' ' ILE . . . . . 0.479 HG22 ' N ' ' A' ' 381' ' ' ASP . 7.7 mt -93.09 165.48 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 1.0700000000000001 109.36 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 381' ' ' ASP . . . . . 0.479 ' N ' HG22 ' A' ' 380' ' ' ILE . 1.5 m-20 -109.4 -44.01 3.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 2.27 109.285 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 382' ' ' ALA . . . . . 0.688 ' HB1' HG12 ' A' ' 432' ' ' VAL . . . -156.52 163.82 38.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 1.0600000000000001 109.354 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 383' ' ' ALA . . . . . 0.739 ' HB3' ' HB1' ' A' ' 334' ' ' ALA . . . -161.65 121.75 2.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.84999999999999998 109.266 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . 0.745 ' CG2' HG13 ' A' ' 432' ' ' VAL . 20.0 t -133.13 151.56 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 2.2200000000000002 109.265 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 385' ' ' PHE . . . . . 0.503 ' HB2' ' CE2' ' A' ' 336' ' ' TYR . 31.7 t80 -98.7 149.55 22.71 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.503 1.127 . . . . 1.76 110.96 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -130.26 103.6 16.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 2.1600000000000001 109.332 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -17.31 19.73 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.782 . . . . 1.8899999999999999 111.03 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -80.3 -22.81 41.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 2.0299999999999998 110.32 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -121.05 5.23 10.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 3.3100000000000001 111.036 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 46.78 37.84 5.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.168 . . . . 2.6299999999999999 111.061 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -144.14 164.46 30.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 3.3500000000000001 110.341 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 392' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 384' ' ' VAL . 13.9 m -125.89 130.07 50.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.90000000000000002 110.415 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -79.96 137.06 36.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 2.1299999999999999 110.994 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 394' ' ' PHE . . . . . 0.438 ' CD2' ' CD1' ' A' ' 403' ' ' TYR . 2.7 m-85 -120.25 100.64 7.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 2.0600000000000001 110.971 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -82.93 113.74 20.74 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.485 1.116 . . . . 1.3 110.996 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 45.1 t -138.21 125.89 29.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.165 . . . . 1.48 109.32 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 4.6 t0 51.08 -152.67 0.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 3.6800000000000002 109.286 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -87.39 50.93 2.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 3.1899999999999999 109.237 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 399' ' ' GLN . . . . . 0.648 ' O ' HD11 ' A' ' 418' ' ' ILE . 8.1 mp0 -147.09 159.55 43.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 3.0299999999999998 110.309 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 400' ' ' TYR . . . . . 0.567 ' CD1' ' C ' ' A' ' 400' ' ' TYR . 0.1 OUTLIER -117.41 94.98 4.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 2.75 110.93 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 401' ' ' TRP . . . . . 0.447 ' CZ3' ' HB2' ' A' ' 399' ' ' GLN . 0.6 OUTLIER -92.2 156.84 17.05 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.928 -1.138 . . . . 5.8700000000000001 107.928 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -153.4 128.35 9.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 3.0499999999999998 110.305 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 403' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 410' ' ' MET . 5.2 m-85 -103.46 170.63 7.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 7.1699999999999999 110.993 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -113.65 126.3 55.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 1.71 109.27 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -82.39 -46.9 12.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 2.8199999999999998 110.312 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -63.4 -63.9 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 6.7999999999999998 110.349 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -57.96 -38.56 76.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 2.9399999999999999 110.291 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 70.26 46.71 0.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 2.77 110.285 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 8.0 tpt -152.46 114.89 4.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 2.8700000000000001 111.018 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 410' ' ' MET . . . . . 0.56 ' HB3' ' CE2' ' A' ' 403' ' ' TYR . 0.0 OUTLIER -52.39 126.24 18.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 2.4900000000000002 111.004 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -42.6 133.29 2.84 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 2.8199999999999998 109.296 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 105.82 2.16 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.519 1.799 . . . . 2.5099999999999998 110.999 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 55.44 97.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.452 1.095 . . . . 2.1099999999999999 110.999 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 414' ' ' TYR . . . . . 0.461 ' N ' ' HD3' ' A' ' 415' ' ' PRO . 1.7 t80 -137.92 60.72 25.05 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 1.8200000000000001 111.015 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 415' ' ' PRO . . . . . 0.461 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.2 Cg_endo -75.02 65.58 6.08 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 1.47 110.988 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -89.54 -178.89 5.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 2.6499999999999999 109.316 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 417' ' ' LEU . . . . . 0.497 HD23 HG22 ' A' ' 419' ' ' THR . 0.0 OUTLIER -126.58 139.47 53.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 2.0099999999999998 109.277 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 418' ' ' ILE . . . . . 0.648 HD11 ' O ' ' A' ' 399' ' ' GLN . 3.7 mt -70.21 -71.56 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 1.04 109.298 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 419' ' ' THR . . . . . 0.497 HG22 HD23 ' A' ' 417' ' ' LEU . 6.3 t -40.66 -29.39 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.142 . . . . 1.3 110.454 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 418' ' ' ILE . 15.1 mttt -68.5 -69.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.6699999999999999 109.345 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -46.79 -53.19 12.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 2.3799999999999999 109.298 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 422' ' ' PHE . . . . . 0.663 ' O ' HD11 ' A' ' 425' ' ' ILE . 22.1 m-85 -122.44 111.0 16.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 3.0299999999999998 111.006 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.97 69.96 1.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 3.1000000000000001 110.309 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . 0.631 ' H ' HD13 ' A' ' 425' ' ' ILE . . . -161.41 25.23 0.25 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.462 1.101 . . . . 2.1299999999999999 111.033 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 425' ' ' ILE . . . . . 0.785 HD13 ' N ' ' A' ' 425' ' ' ILE . 0.2 OUTLIER -147.99 -47.88 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 124.455 0.738 . . . . 2.1099999999999999 109.308 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 426' ' ' GLY . . . . . 0.411 ' N ' HG12 ' A' ' 425' ' ' ILE . . . 128.82 176.09 14.3 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.496 1.122 . . . . 0.87 111.012 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -24.91 12.27 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.541 1.811 . . . . 1.29 111.012 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.475 ' C ' HD12 ' A' ' 429' ' ' ILE . 1.5 mmmm -127.08 138.27 53.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 2.3500000000000001 109.315 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 429' ' ' ILE . . . . . 0.549 HD11 HG12 ' A' ' 425' ' ' ILE . 3.4 mp -133.88 129.37 54.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 2.9100000000000001 109.304 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 430' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 443' ' ' PHE . 0.9 OUTLIER -54.31 -63.56 1.11 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 2.0699999999999998 109.318 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -160.34 168.33 25.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 1.26 109.302 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.745 HG13 ' CG2' ' A' ' 384' ' ' VAL . 3.2 p -157.77 148.1 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 2.0899999999999999 109.282 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 433' ' ' PHE . . . . . 0.452 ' N ' ' CD1' ' A' ' 433' ' ' PHE . 3.5 p90 -145.41 163.93 33.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 2.7200000000000002 111.031 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -110.78 83.53 1.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 2.9500000000000002 110.937 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 4.8 t -104.77 -23.14 13.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 2.5600000000000001 110.023 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 436' ' ' LYS . . . . . 0.554 ' HD3' ' CE1' ' A' ' 441' ' ' TYR . 0.0 OUTLIER -67.93 -168.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 5.9800000000000004 109.367 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -100.39 -21.76 15.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 5.0300000000000002 109.266 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.22 51.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 3.6200000000000001 109.254 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 439' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 452' ' ' ASP . 8.5 m-85 -142.4 166.27 25.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 3.0 110.994 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 440' ' ' TYR . . . . . 0.526 ' HB3' ' CE2' ' A' ' 442' ' ' PHE . 12.5 m-85 -125.83 104.99 8.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 3.1899999999999999 111.032 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 441' ' ' TYR . . . . . 0.562 ' CE1' ' CG ' ' A' ' 450' ' ' GLU . 2.8 m-85 -91.19 96.62 10.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 2.7599999999999998 110.977 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . 0.6 ' CD2' HG21 ' A' ' 425' ' ' ILE . 70.4 m-85 -96.21 145.77 25.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 3.1699999999999999 111.026 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 443' ' ' PHE . . . . . 0.559 ' CZ ' ' CD ' ' A' ' 448' ' ' GLN . 0.3 OUTLIER -116.07 115.67 26.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 3.5800000000000001 110.971 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -114.68 78.69 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 4.0300000000000002 110.25 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 92.61 -86.76 1.21 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.123 . . . . 2.1899999999999999 111.047 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 12.9 m -141.7 38.33 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 2.8599999999999999 109.97 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -144.31 140.58 29.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 2.2000000000000002 109.275 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 448' ' ' GLN . . . . . 0.559 ' CD ' ' CZ ' ' A' ' 443' ' ' PHE . 4.0 tt0 -113.04 110.49 20.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 3.1299999999999999 110.28 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -91.91 139.91 30.2 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.605 1.191 . . . . 2.3700000000000001 110.974 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 0.562 ' CG ' ' CE1' ' A' ' 441' ' ' TYR . 0.7 OUTLIER -104.48 76.17 1.28 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.49 1.119 . . . . 4.7199999999999998 110.275 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -85.09 107.48 17.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.601 1.188 . . . . 3.0499999999999998 110.997 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 452' ' ' ASP . . . . . 0.562 ' HB2' ' CE1' ' A' ' 439' ' ' TYR . 40.3 t0 -100.83 155.21 18.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 3.79 109.296 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 454' ' ' LEU . 47.0 t80 -84.32 -10.71 57.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 3.0299999999999998 111.02 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 453' ' ' PHE . 14.8 tp -40.12 -44.76 1.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 2.4900000000000002 109.267 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -168.72 32.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 1.95 109.275 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 45.57 66.33 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 2.7799999999999998 110.303 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.7 140.04 29.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 3.27 110.277 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 4.6 mt -83.84 115.96 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 2.1800000000000002 109.269 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 10.0 p -88.43 -47.51 8.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 3.0699999999999998 110.363 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -128.11 165.1 21.03 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.111 . . . . 3.6699999999999999 109.292 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 13.6 m -153.99 116.33 4.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 2.4199999999999999 110.396 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 462' ' ' LEU . . . . . 0.797 HD22 ' HB2' ' A' ' 466' ' ' SER . 11.9 mt -86.49 178.89 6.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 3.6699999999999999 109.353 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.35 58.66 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 6.1699999999999999 109.309 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 464' ' ' SER . . . . . 0.406 ' O ' ' CG ' ' A' ' 465' ' ' ASN . 0.2 OUTLIER 42.51 31.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 3.1299999999999999 110.005 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 465' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 464' ' ' SER . 31.6 m-80 -173.59 44.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 2.6400000000000001 109.286 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . 0.797 ' HB2' HD22 ' A' ' 462' ' ' LEU . 1.2 p -64.38 -35.2 80.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 3.8500000000000001 109.999 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 467' ' ' TRP . . . . . 0.452 ' O ' ' C ' ' A' ' 468' ' ' PHE . 0.3 OUTLIER -165.31 -43.12 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.983 -1.117 . . . . 7.1399999999999997 107.983 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 468' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' A' ' 467' ' ' TRP . 15.4 m-85 -33.58 -56.2 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 8.75 110.982 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -112.82 -84.56 1.36 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.52 1.138 . . . . 4.0199999999999996 110.975 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 470' ' ' CYS . . . . . 1.069 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 1.4 m . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 108.276 -1.009 . . . . 3.4500000000000002 108.276 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 281' ' ' LEU . . . . . 0.65 ' CD2' ' CD1' ' A' ' 468' ' ' PHE . 1.3 mt . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.288 -0.634 . . . . 3.25 109.288 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 282' ' ' CYS . . . . . . . . . . . . . 42.3 t -157.14 51.01 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 3.4300000000000002 108.3 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 283' ' ' ASP . . . . . 0.407 ' HB3' ' OD1' ' A' ' 285' ' ' ASN . 0.7 OUTLIER -146.93 145.25 21.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 4.4800000000000004 109.276 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 68.68 5.77 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.542 1.812 . . . . 3.0699999999999998 110.92 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 285' ' ' ASN . . . . . 0.407 ' OD1' ' HB3' ' A' ' 283' ' ' ASP . 0.3 OUTLIER -169.59 40.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 3.52 109.379 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 286' ' ' LEU . . . . . 0.688 HD23 ' H ' ' A' ' 287' ' ' SER . 0.4 OUTLIER -111.81 154.59 24.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 2.7999999999999998 109.284 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 287' ' ' SER . . . . . 0.688 ' H ' HD23 ' A' ' 286' ' ' LEU . 57.4 p -142.62 176.84 8.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 2.3500000000000001 109.984 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -144.26 178.27 8.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 2.5800000000000001 111.024 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.54 -48.87 1.16 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 2.6000000000000001 109.31 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -147.89 141.08 25.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.93999999999999995 109.345 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 291' ' ' VAL . . . . . . . . . . . . . 1.3 m -140.6 131.42 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 2.27 109.333 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 14.2 t -143.69 163.13 34.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 1.53 110.385 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 2.6 t -116.42 161.58 18.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 2.2400000000000002 110.377 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 79.4 t -135.5 77.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.6799999999999999 109.247 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 74.06 -88.07 0.67 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.548 1.155 . . . . 1.97 111.006 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -115.82 -5.99 12.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 0.787 . . . . 4.4199999999999999 109.276 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.456 ' HA ' HG23 ' A' ' 310' ' ' VAL . 2.8 mtmm -99.83 161.03 13.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 2.54 109.296 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 298' ' ' ILE . . . . . 0.448 ' C ' ' CD1' ' A' ' 299' ' ' PHE . 1.4 pt -139.37 144.48 28.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 2.3500000000000001 109.264 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 299' ' ' PHE . . . . . 0.586 ' CE2' HD21 ' A' ' 308' ' ' LEU . 9.8 m-85 -138.77 167.81 21.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 2.5699999999999998 110.988 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 300' ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' A' ' 300' ' ' PHE . 0.1 OUTLIER -153.11 125.24 7.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 3.3100000000000001 111.022 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 301' ' ' PHE . . . . . 0.67 ' CD1' HD13 ' A' ' 332' ' ' ILE . 97.7 m-85 -104.68 146.28 29.16 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.531 1.144 . . . . 2.1000000000000001 110.97 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.15 -53.86 2.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 3.73 109.333 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 303' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 331' ' ' GLY . 12.6 t0 -169.82 -61.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 3.96 109.247 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 304' ' ' ARG . . . . . 0.571 ' HG2' ' CD2' ' A' ' 305' ' ' PHE . 0.0 OUTLIER -118.17 -22.76 7.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.439 1.087 . . . . 4.2999999999999998 110.242 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 305' ' ' PHE . . . . . 0.571 ' CD2' ' HG2' ' A' ' 304' ' ' ARG . 79.6 m-85 -103.45 155.53 18.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 3.1400000000000001 110.998 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 306' ' ' PHE . . . . . 0.538 ' CZ ' ' HB2' ' A' ' 319' ' ' ASN . 6.5 p90 -116.01 150.39 37.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 2.4100000000000001 110.945 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 307' ' ' TRP . . . . . 0.579 ' CH2' HD11 ' A' ' 281' ' ' LEU . 48.5 m95 -114.75 144.82 42.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 5.6600000000000001 108.008 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . 0.586 HD21 ' CE2' ' A' ' 299' ' ' PHE . 0.2 OUTLIER -132.46 112.67 12.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.419 1.074 . . . . 1.98 109.292 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 309' ' ' LYS . . . . . 0.457 ' CD ' HG22 ' A' ' 316' ' ' THR . 1.4 tptt -148.52 102.41 3.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 2.3700000000000001 109.244 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 310' ' ' VAL . . . . . 0.649 HG13 ' H ' ' A' ' 312' ' ' GLU . 2.2 p -110.7 177.02 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 2.8700000000000001 109.347 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 311' ' ' SER . . . . . 0.581 ' H ' HG22 ' A' ' 310' ' ' VAL . 0.3 OUTLIER -84.93 29.55 0.63 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.534 1.146 . . . . 6.9500000000000002 109.965 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 312' ' ' GLU . . . . . 0.649 ' H ' HG13 ' A' ' 310' ' ' VAL . 11.4 tt0 -149.33 23.36 0.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.094 . . . . 6.3799999999999999 110.31 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -120.88 134.1 24.25 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.125 . . . . 4.3099999999999996 110.292 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -24.95 12.34 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.525 1.802 . . . . 2.6899999999999999 110.935 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -150.65 160.07 44.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 3.1600000000000001 109.355 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . 0.561 HG21 ' CD1' ' A' ' 468' ' ' PHE . 73.4 p -95.95 123.13 39.42 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.535 1.147 . . . . 1.8700000000000001 110.431 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 317' ' ' SER . . . . . 0.448 ' O ' ' CE3' ' A' ' 307' ' ' TRP . 0.6 OUTLIER -87.46 168.02 13.47 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 2.2999999999999998 110.012 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 318' ' ' VAL . . . . . 0.561 ' HB ' ' CZ3' ' A' ' 307' ' ' TRP . 6.2 p -153.36 121.94 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 2.6499999999999999 109.303 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 319' ' ' ASN . . . . . 0.538 ' HB2' ' CZ ' ' A' ' 306' ' ' PHE . 0.9 OUTLIER -143.64 175.83 9.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.404 1.065 . . . . 2.6200000000000001 109.213 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 10.1 tp -81.86 154.78 25.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 2.3900000000000001 109.296 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 321' ' ' ILE . . . . . . . . . . . . . 37.5 mt -68.17 -70.1 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 1.49 109.258 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 3.7 t -42.93 -32.41 0.63 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.476 1.11 . . . . 2.8500000000000001 110.003 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 323' ' ' SER . . . . . 0.556 ' HB3' HD12 ' A' ' 324' ' ' LEU . 0.1 OUTLIER -42.35 -36.59 1.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 1.5600000000000001 109.965 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . 0.556 HD12 ' HB3' ' A' ' 323' ' ' SER . 5.2 mp -116.19 -58.98 2.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 2.48 109.318 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 325' ' ' TRP . . . . . 0.407 ' HB3' HD23 ' A' ' 328' ' ' LEU . 1.4 m-90 -58.22 152.03 44.06 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 3.0499999999999998 108.0 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -56.69 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.494 1.787 . . . . 1.78 110.978 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 327' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 327' ' ' THR . 3.1 t -153.94 104.01 2.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 2.6200000000000001 110.409 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 328' ' ' LEU . . . . . 0.567 HD13 ' HD2' ' A' ' 329' ' ' PRO . 0.2 OUTLIER -99.8 167.72 10.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 2.3799999999999999 109.315 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 329' ' ' PRO . . . . . 0.567 ' HD2' HD13 ' A' ' 328' ' ' LEU . 18.3 Cg_endo -74.99 -16.42 20.24 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.515 1.797 . . . . 4.1799999999999997 111.024 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 53.0 p 58.68 111.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 3.5699999999999998 110.001 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 303' ' ' ASP . . . 104.02 41.56 2.09 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.493 1.12 . . . . 1.46 111.013 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.68 HG21 HD12 ' A' ' 346' ' ' LEU . 3.0 mt -49.25 102.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 0.785 . . . . 2.0899999999999999 109.382 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -79.73 -35.48 38.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 2.9700000000000002 110.305 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 334' ' ' ALA . . . . . 0.606 ' HB3' ' HB2' ' A' ' 347' ' ' PHE . . . -142.96 122.26 13.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.93000000000000005 109.249 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -109.44 115.43 29.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 1.05 109.287 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 336' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -108.63 158.94 17.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 4.0 111.048 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -155.59 142.74 19.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 3.4100000000000001 110.269 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 338' ' ' ILE . . . . . . . . . . . . . 2.7 tp -140.64 121.36 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 3.46 109.238 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.18 -41.38 49.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 3.6699999999999999 110.299 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -40.94 -57.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 1.8400000000000001 109.292 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -85.82 -19.07 31.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 3.4500000000000002 110.286 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 4.7 t30 62.66 52.54 2.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 2.23 109.291 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . 0.665 ' NE2' HD21 ' A' ' 354' ' ' LEU . 36.1 mt-30 -125.35 178.51 5.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 2.5 110.328 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 344' ' ' VAL . . . . . 0.417 HG12 ' CD2' ' A' ' 346' ' ' LEU . 40.6 t -137.51 135.06 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 1.1899999999999999 109.274 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 345' ' ' PHE . . . . . 0.792 ' C ' HD22 ' A' ' 346' ' ' LEU . 17.0 m-85 -130.34 129.81 43.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 2.6099999999999999 110.965 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.792 HD22 ' C ' ' A' ' 345' ' ' PHE . 2.9 mm? -124.01 103.0 8.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 1.8300000000000001 109.346 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 347' ' ' PHE . . . . . 0.606 ' HB2' ' HB3' ' A' ' 334' ' ' ALA . 91.5 m-85 -83.62 142.21 30.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 2.6200000000000001 110.959 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 348' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 351' ' ' LYS . 11.7 tmtt? -164.71 125.85 2.1 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.44 1.087 . . . . 2.9399999999999999 109.331 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 50.32 -150.5 0.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 3.0099999999999998 109.346 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 350' ' ' ASP . . . . . 0.435 ' OD1' ' ND1' ' A' ' 369' ' ' HIS . 44.8 t0 -88.26 44.11 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 2.8900000000000001 109.253 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 348' ' ' LYS . 18.5 mttt -155.25 149.73 26.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 2.0499999999999998 109.32 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 352' ' ' TYR . . . . . 0.562 ' C ' ' CD1' ' A' ' 352' ' ' TYR . 0.0 OUTLIER -143.79 127.09 16.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 4.8600000000000003 111.042 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 353' ' ' TRP . . . . . 0.442 ' CH2' HG23 ' A' ' 327' ' ' THR . 21.4 m95 -95.83 146.88 24.2 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.989 -1.115 . . . . 5.6299999999999999 107.989 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 354' ' ' LEU . . . . . 0.665 HD21 ' NE2' ' A' ' 343' ' ' GLN . 1.7 tm? -108.94 113.01 25.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 3.1099999999999999 109.297 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.694 ' N ' HD12 ' A' ' 355' ' ' ILE . 2.1 mp -93.39 92.75 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 1.79 109.25 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 356' ' ' SER . . . . . 0.43 ' HB2' HD11 ' A' ' 354' ' ' LEU . 1.4 t -96.12 122.29 38.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 1.5800000000000001 110.022 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 357' ' ' ASN . . . . . 0.665 ' O ' HD23 ' A' ' 358' ' ' LEU . 45.6 m-20 59.48 47.62 10.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 2.6800000000000002 109.356 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 358' ' ' LEU . . . . . 0.665 HD23 ' O ' ' A' ' 357' ' ' ASN . 0.3 OUTLIER 55.14 37.02 28.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 2.9100000000000001 109.205 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.82 115.47 3.23 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.14 . . . . 4.4199999999999999 110.295 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 360' ' ' PRO . . . . . 0.457 ' HA ' ' O ' ' A' ' 354' ' ' LEU . 18.3 Cg_endo -74.93 110.35 3.1 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.444 1.76 . . . . 2.3999999999999999 110.971 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -39.04 128.29 1.23 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 3.9900000000000002 110.376 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 362' ' ' PRO . . . . . 0.428 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.3 Cg_endo -75.03 122.5 7.23 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.475 1.776 . . . . 3.1499999999999999 110.98 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 363' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 4.8 t-20 77.99 54.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.157 . . . . 3.3700000000000001 109.343 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 364' ' ' TYR . . . . . 0.552 ' CD2' ' HD2' ' A' ' 366' ' ' LYS . 0.8 OUTLIER -136.52 60.09 29.42 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 2.9500000000000002 110.993 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 365' ' ' PRO . . . . . 0.483 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -75.04 53.31 3.31 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.501 1.79 . . . . 1.9299999999999999 110.984 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 366' ' ' LYS . . . . . 0.559 ' HB3' ' CD2' ' A' ' 352' ' ' TYR . 0.3 OUTLIER -62.29 169.51 2.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 2.0699999999999998 109.298 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 367' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 370' ' ' SER . 3.7 m -153.05 144.03 22.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 3.2799999999999998 110.019 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 368' ' ' ILE . . . . . 0.493 HD13 HD11 ' A' ' 380' ' ' ILE . 1.0 OUTLIER -67.77 -20.02 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 2.29 109.252 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 369' ' ' HIS . . . . . 0.435 ' ND1' ' OD1' ' A' ' 350' ' ' ASP . 0.9 OUTLIER -69.7 -19.15 63.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 3.98 109.661 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 370' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 367' ' ' SER . 0.2 OUTLIER -70.39 -7.06 40.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.404 1.065 . . . . 2.54 110.054 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 371' ' ' PHE . . . . . 0.482 ' CD2' ' O ' ' A' ' 371' ' ' PHE . 36.9 p90 -170.84 57.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 7.0700000000000003 111.017 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 372' ' ' GLY . . . . . 0.593 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -171.18 -50.64 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.557 1.161 . . . . 3.04 110.933 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 373' ' ' PHE . . . . . 0.593 ' C ' ' O ' ' A' ' 372' ' ' GLY . 22.3 t80 -19.56 92.09 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 5.1699999999999999 110.951 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 374' ' ' PRO . . . . . 0.468 ' N ' ' O ' ' A' ' 372' ' ' GLY . 18.1 Cg_endo -74.98 -55.47 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 2.4900000000000002 111.044 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -134.62 -55.84 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.583 1.177 . . . . 4.8600000000000003 109.3 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -160.44 33.0 0.16 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 7.0300000000000002 110.977 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 377' ' ' VAL . . . . . 0.437 HG12 ' HD2' ' A' ' 374' ' ' PRO . 0.3 OUTLIER -73.43 141.74 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 2.2999999999999998 109.218 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.84 29.75 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 2.8700000000000001 109.343 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -170.91 122.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 3.1099999999999999 109.308 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 380' ' ' ILE . . . . . 0.493 HD11 HD13 ' A' ' 368' ' ' ILE . 10.0 mt -99.49 144.29 12.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 1.02 109.342 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.58 -47.04 11.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 2.2000000000000002 109.359 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 382' ' ' ALA . . . . . 0.746 ' HB1' HG12 ' A' ' 432' ' ' VAL . . . -157.76 169.34 24.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.85999999999999999 109.292 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -153.36 118.02 4.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.68999999999999995 109.303 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . 0.53 HG22 ' H ' ' A' ' 385' ' ' PHE . 9.6 p -134.2 171.28 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 2.0800000000000001 109.299 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 385' ' ' PHE . . . . . 0.53 ' H ' HG22 ' A' ' 384' ' ' VAL . 22.8 t80 -135.74 148.29 48.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 1.99 110.984 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.5 125.75 29.14 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 2.2999999999999998 109.283 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 387' ' ' PRO . . . . . 0.485 ' O ' ' CE1' ' A' ' 390' ' ' TYR . 18.1 Cg_endo -75.06 -30.54 6.97 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.568 1.825 . . . . 1.74 111.045 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 388' ' ' ARG . . . . . 0.46 ' O ' ' CE2' ' A' ' 390' ' ' TYR . 12.1 mmm180 -80.34 -41.26 25.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 2.1699999999999999 110.327 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 389' ' ' PHE . . . . . 0.419 ' O ' ' CG ' ' A' ' 391' ' ' ARG . 0.2 OUTLIER -87.24 -13.38 43.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.173 . . . . 2.73 110.991 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 390' ' ' TYR . . . . . 0.485 ' CE1' ' O ' ' A' ' 387' ' ' PRO . 39.5 m-85 48.9 35.06 6.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 3.0499999999999998 111.028 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 391' ' ' ARG . . . . . 0.419 ' CG ' ' O ' ' A' ' 389' ' ' PHE . 1.4 mtt85 -135.1 145.16 47.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 4.1299999999999999 110.323 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 392' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 384' ' ' VAL . 81.1 m -98.82 112.46 24.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.81000000000000005 110.421 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -79.22 135.36 36.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 2.4300000000000002 110.988 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.6 109.57 17.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 2.6699999999999999 110.974 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 395' ' ' PHE . . . . . 0.428 ' HD2' ' HB3' ' A' ' 382' ' ' ALA . 22.7 m-85 -90.85 111.61 23.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.131 . . . . 1.6200000000000001 111.024 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 52.5 t -135.03 122.56 37.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.357 1.036 . . . . 1.6100000000000001 109.333 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 55.89 -151.94 0.38 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 3.96 109.238 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -89.08 48.65 1.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 3.3500000000000001 109.277 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 399' ' ' GLN . . . . . 0.551 ' O ' HD11 ' A' ' 418' ' ' ILE . 32.3 mt-30 -144.98 164.71 30.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 2.6200000000000001 110.234 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 400' ' ' TYR . . . . . 0.515 ' CD1' ' C ' ' A' ' 400' ' ' TYR . 0.1 OUTLIER -121.95 123.53 41.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 2.9700000000000002 111.0 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -117.12 163.18 16.66 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.018 -1.104 . . . . 5.21 108.018 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 402' ' ' ARG . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 402' ' ' ARG . 14.4 ttp-105 -154.58 127.73 8.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 5.4100000000000001 110.295 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -105.68 127.81 53.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 6.29 111.076 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.31 131.55 43.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 2.0299999999999998 109.31 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.18 -47.15 4.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 2.6099999999999999 110.291 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -65.0 -37.94 89.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 6.2000000000000002 110.262 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 407' ' ' ARG . . . . . 0.438 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.5 OUTLIER -87.79 -44.99 10.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 2.6099999999999999 110.269 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . 0.438 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 1.3 tt0 81.89 39.76 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 2.6099999999999999 110.325 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -145.18 104.97 4.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 2.6499999999999999 110.978 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.49 126.63 28.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 2.48 111.053 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.03 133.02 40.09 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 3.3300000000000001 109.31 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 114.26 3.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.541 1.811 . . . . 2.6099999999999999 111.003 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 53.22 102.01 0.01 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.518 1.136 . . . . 2.2000000000000002 110.97 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 414' ' ' TYR . . . . . 0.514 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 2.1 t80 -144.38 63.07 10.67 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.528 0.781 . . . . 2.4500000000000002 110.978 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 415' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -74.96 76.13 3.47 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.557 1.82 . . . . 1.46 110.994 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . 0.514 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 27.4 mmtt -94.45 -174.62 3.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.399 1.062 . . . . 2.75 109.316 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.13 135.93 53.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 2.54 109.328 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 418' ' ' ILE . . . . . 0.551 HD11 ' O ' ' A' ' 399' ' ' GLN . 2.8 mt -65.78 -63.43 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 1.6799999999999999 109.358 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 419' ' ' THR . . . . . 0.474 ' HB ' ' CA ' ' A' ' 427' ' ' PRO . 5.2 t -47.81 -43.92 28.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 1.53 110.368 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -61.28 -40.08 92.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 1.8500000000000001 109.342 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -69.99 -61.7 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 2.3500000000000001 109.276 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 422' ' ' PHE . . . . . 0.489 ' CB ' HD11 ' A' ' 425' ' ' ILE . 19.9 m-85 -81.3 -70.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 4.29 111.037 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 423' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 419' ' ' THR . 0.0 OUTLIER 75.89 96.72 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 2.4100000000000001 110.295 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . 0.629 ' HA3' HD11 ' A' ' 458' ' ' ILE . . . 151.96 -29.47 0.91 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.156 . . . . 1.6399999999999999 111.011 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 425' ' ' ILE . . . . . 0.6 ' H ' HD13 ' A' ' 425' ' ' ILE . 0.2 OUTLIER -100.31 -24.92 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 2.1600000000000001 109.281 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 107.94 159.39 20.4 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.53 1.144 . . . . 1.29 110.974 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . 0.474 ' CA ' ' HB ' ' A' ' 419' ' ' THR . 18.3 Cg_endo -75.02 -3.98 14.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.567 1.825 . . . . 2.1499999999999999 111.024 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.3 133.27 54.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.604 1.19 . . . . 2.4399999999999999 109.326 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 429' ' ' ILE . . . . . 0.442 HD13 ' HD2' ' A' ' 442' ' ' PHE . 7.1 tp -143.87 134.66 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 1.9099999999999999 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -103.49 -56.63 2.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.436 1.085 . . . . 3.98 109.279 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -134.73 150.31 50.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.174 . . . . 0.81999999999999995 109.352 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.746 HG12 ' HB1' ' A' ' 382' ' ' ALA . 9.3 p -156.65 136.71 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 1.8899999999999999 109.289 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 433' ' ' PHE . . . . . 0.409 ' CE1' ' HB2' ' A' ' 441' ' ' TYR . 7.5 p90 -141.3 135.07 30.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 2.7400000000000002 111.04 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -88.8 101.84 14.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 3.0800000000000001 111.037 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 435' ' ' SER . . . . . 0.401 ' HB3' ' CD2' ' A' ' 433' ' ' PHE . 0.9 OUTLIER -151.29 97.61 2.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 3.1000000000000001 110.008 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 436' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 176.53 -163.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 3.96 109.262 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -83.32 -37.95 22.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 5.6500000000000004 109.345 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 438' ' ' LYS . . . . . 0.54 ' O ' ' CD1' ' A' ' 439' ' ' TYR . 0.0 OUTLIER -178.54 62.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 3.25 109.273 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 439' ' ' TYR . . . . . 0.54 ' CD1' ' O ' ' A' ' 438' ' ' LYS . 49.7 m-85 -154.3 172.12 18.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 2.6099999999999999 111.042 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -135.96 140.17 43.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 3.2000000000000002 110.982 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 441' ' ' TYR . . . . . 0.704 ' O ' HG23 ' A' ' 432' ' ' VAL . 5.9 m-85 -105.09 127.82 53.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 2.3300000000000001 110.976 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . 0.442 ' HD2' HD13 ' A' ' 429' ' ' ILE . 22.5 m-85 -122.4 141.33 51.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 3.3700000000000001 111.05 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 443' ' ' PHE . . . . . 0.537 ' C ' ' CD1' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -150.49 146.3 26.53 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.495 1.122 . . . . 5.46 111.03 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -159.28 67.45 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 3.9100000000000001 110.277 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 148.14 -90.37 0.14 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.566 1.166 . . . . 2.1699999999999999 110.973 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 4.5 p -150.66 36.1 0.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.408 0.71 . . . . 2.3700000000000001 109.963 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -146.56 142.18 27.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 3.6699999999999999 109.335 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 448' ' ' GLN . . . . . 0.572 ' HB3' HD21 ' A' ' 462' ' ' LEU . 6.3 mt-30 -123.72 90.22 3.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 3.9500000000000002 110.294 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -82.98 159.95 22.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 2.4300000000000002 110.982 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -124.84 129.98 51.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 3.7999999999999998 110.35 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -105.98 144.01 33.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 3.75 111.054 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -124.66 112.14 16.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 3.1800000000000002 109.271 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -61.42 -12.91 16.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 3.0 111.017 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . 0.451 HD23 ' CD2' ' A' ' 455' ' ' LEU . 16.0 tp -57.0 -32.64 66.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 2.4399999999999999 109.296 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.463 ' CD1' ' HD3' ' A' ' 457' ' ' ARG . 1.0 OUTLIER -177.03 44.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 2.0699999999999998 109.311 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 456' ' ' GLN . . . . . 0.419 ' NE2' ' O ' ' A' ' 455' ' ' LEU . 3.3 pm0 38.47 45.74 0.88 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.573 1.171 . . . . 4.7599999999999998 110.328 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 457' ' ' ARG . . . . . 0.463 ' HD3' ' CD1' ' A' ' 455' ' ' LEU . 0.5 OUTLIER -93.03 167.99 11.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 3.0 110.349 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 458' ' ' ILE . . . . . 0.629 HD11 ' HA3' ' A' ' 424' ' ' GLY . 2.5 mp -143.17 79.83 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 2.1699999999999999 109.311 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 1.8 t -102.23 43.31 1.08 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 2.7400000000000002 110.409 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.69 100.74 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 3.3199999999999998 109.297 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 5.3 p -121.76 112.35 18.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 2.48 110.384 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 462' ' ' LEU . . . . . 0.656 HD12 ' CB ' ' A' ' 466' ' ' SER . 0.8 OUTLIER -140.39 170.39 15.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.449 1.093 . . . . 2.5299999999999998 109.328 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.0 168.03 10.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 2.5499999999999998 109.293 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 1.3 t -51.07 -35.18 33.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.8100000000000001 110.008 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -99.82 65.97 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 3.71 109.313 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . 0.656 ' CB ' HD12 ' A' ' 462' ' ' LEU . 30.4 t -114.23 -19.83 11.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 2.5299999999999998 109.986 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 467' ' ' TRP . . . . . 0.424 ' O ' ' N ' ' A' ' 469' ' ' GLY . 0.6 OUTLIER -104.77 -56.15 2.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.603 1.189 . . . . 4.2999999999999998 107.989 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 468' ' ' PHE . . . . . 0.65 ' CD1' ' CD2' ' A' ' 281' ' ' LEU . 74.9 m-85 -39.34 -29.61 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.132 . . . . 6.3399999999999999 110.94 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 467' ' ' TRP . . . 101.8 56.61 0.85 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.537 1.148 . . . . 2.1800000000000002 110.978 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 N-CA-C 108.364 -0.976 . . . . 3.4700000000000002 108.364 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 281' ' ' LEU . . . . . 0.459 HD22 ' CD1' ' A' ' 468' ' ' PHE . 1.3 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.339 -0.615 . . . . 2.4399999999999999 109.339 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 282' ' ' CYS . . . . . 1.155 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 1.8 t -130.95 17.31 5.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.423 1.077 . . . . 2.8700000000000001 108.317 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 283' ' ' ASP . . . . . 0.432 ' O ' ' ND2' ' A' ' 465' ' ' ASN . 1.0 OUTLIER -157.79 152.45 20.83 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 3.5899999999999999 109.34 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 59.3 5.12 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.433 1.754 . . . . 1.9199999999999999 110.99 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -121.39 24.43 9.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 3.8599999999999999 109.344 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 286' ' ' LEU . . . . . 0.532 HD11 ' CZ2' ' A' ' 307' ' ' TRP . 5.7 tp -110.62 150.37 29.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 2.77 109.322 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 3.7 p -145.19 167.91 21.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 1.9099999999999999 110.017 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -130.33 171.53 12.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.412 1.07 . . . . 2.02 110.994 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -115.97 -53.44 2.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 2.6200000000000001 109.265 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -150.42 150.55 31.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.162 . . . . 1.02 109.315 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 291' ' ' VAL . . . . . 0.824 HG22 ' HB1' ' A' ' 431' ' ' ALA . 3.9 m -138.03 165.99 24.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 2.0099999999999998 109.354 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 1.6 t -149.84 167.11 27.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 1.3799999999999999 110.352 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 293' ' ' THR . . . . . 0.445 ' CG2' ' HB2' ' A' ' 433' ' ' PHE . 82.6 p -120.3 118.19 29.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 3.6299999999999999 110.446 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 294' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 296' ' ' ASN . 62.0 t -122.61 114.38 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 1.74 109.329 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 54.9 -86.77 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 1.97 110.989 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 296' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 294' ' ' VAL . 6.6 p-10 -141.37 25.39 2.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 0.748 . . . . 3.8999999999999999 109.267 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.497 ' HA ' HG23 ' A' ' 310' ' ' VAL . 16.1 mtmt -125.04 164.92 19.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 2.6899999999999999 109.301 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 3.3 pt -141.23 130.3 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 2.3100000000000001 109.307 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 299' ' ' PHE . . . . . 0.429 ' O ' HG12 ' A' ' 291' ' ' VAL . 35.9 m-85 -104.42 142.83 33.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 2.2999999999999998 111.032 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 300' ' ' PHE . . . . . 0.567 ' HA ' HG12 ' A' ' 291' ' ' VAL . 14.8 m-85 -126.95 98.08 5.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.451 1.095 . . . . 2.6899999999999999 111.044 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 301' ' ' PHE . . . . . 0.411 ' HA ' ' CB ' ' A' ' 306' ' ' PHE . 15.8 m-85 -86.57 157.41 19.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 2.2400000000000002 111.042 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -162.26 74.05 0.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 2.9900000000000002 109.303 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 303' ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' A' ' 304' ' ' ARG . 1.6 m-20 49.65 88.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 3.0099999999999998 109.303 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 304' ' ' ARG . . . . . 0.47 ' HB2' ' O ' ' A' ' 303' ' ' ASP . 0.2 OUTLIER 69.15 -57.6 0.52 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 4.2599999999999998 110.285 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 305' ' ' PHE . . . . . 0.419 ' N ' ' O ' ' A' ' 303' ' ' ASP . 2.8 m-85 -78.09 121.66 24.57 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.573 1.171 . . . . 3.0099999999999998 110.99 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 306' ' ' PHE . . . . . 0.564 ' CD2' ' O ' ' A' ' 319' ' ' ASN . 15.5 p90 -128.98 137.53 51.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 1.8100000000000001 111.002 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 307' ' ' TRP . . . . . 0.532 ' CZ2' HD11 ' A' ' 286' ' ' LEU . 5.0 m-90 -91.68 146.83 23.46 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.922 -1.14 . . . . 4.2999999999999998 107.922 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . 0.471 HD13 ' N ' ' A' ' 309' ' ' LYS . 0.7 OUTLIER -123.3 120.57 33.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 1.9199999999999999 109.324 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 309' ' ' LYS . . . . . 0.471 ' N ' HD13 ' A' ' 308' ' ' LEU . 0.1 OUTLIER -146.32 114.27 6.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 2.4700000000000002 109.334 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 310' ' ' VAL . . . . . 0.497 HG23 ' HA ' ' A' ' 297' ' ' LYS . 0.5 OUTLIER -136.37 -179.85 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 2.8100000000000001 109.281 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 311' ' ' SER . . . . . 0.477 ' H ' HG22 ' A' ' 310' ' ' VAL . 0.5 OUTLIER -60.8 138.32 58.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 6.2699999999999996 110.002 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 69.33 40.55 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 5.8399999999999999 110.266 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 313' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 315' ' ' LYS . 2.5 tpt180 -128.63 94.9 33.86 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.505 1.128 . . . . 3.7999999999999998 110.239 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 1.56 7.58 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.528 1.804 . . . . 3.4399999999999999 111.012 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 315' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 313' ' ' ARG . 13.4 tttt -159.57 160.72 34.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 4.4199999999999999 109.288 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 308' ' ' LEU . 21.5 p -115.14 151.75 33.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 1.1399999999999999 110.38 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 8.7 t -115.13 119.61 36.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 1.9299999999999999 109.983 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 318' ' ' VAL . . . . . 0.482 HG22 ' CD1' ' A' ' 307' ' ' TRP . 96.2 t -92.13 94.0 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.397 1.061 . . . . 2.2599999999999998 109.295 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 319' ' ' ASN . . . . . 0.564 ' O ' ' CD2' ' A' ' 306' ' ' PHE . 1.0 OUTLIER -110.29 174.52 5.83 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.522 1.139 . . . . 1.95 109.307 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.17 150.06 23.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 2.1899999999999999 109.335 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 321' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 324' ' ' LEU . 4.9 mt -65.42 -62.86 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 1.0600000000000001 109.308 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 8.2 m -46.42 -31.03 2.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 2.1699999999999999 110.005 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.55 -37.63 88.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 1.71 109.971 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 321' ' ' ILE . 14.1 tp -97.2 -73.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 3.3900000000000001 109.313 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 325' ' ' TRP . . . . . 0.667 ' HB3' HD23 ' A' ' 328' ' ' LEU . 0.2 OUTLIER -60.86 151.2 74.38 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 1.8899999999999999 107.955 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -74.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.419 1.747 . . . . 1.22 110.983 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 327' ' ' THR . . . . . 0.658 HG23 ' O ' ' A' ' 327' ' ' THR . 11.0 t -128.78 91.06 3.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 1.7 110.416 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 328' ' ' LEU . . . . . 0.676 HD11 HG12 ' A' ' 355' ' ' ILE . 4.4 mm? -126.89 161.64 52.28 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 1.6000000000000001 109.345 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 329' ' ' PRO . . . . . 0.669 ' O ' HD11 ' A' ' 332' ' ' ILE . 18.4 Cg_endo -74.95 129.52 12.46 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.612 1.848 . . . . 2.0899999999999999 110.943 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 11.6 m -88.45 136.44 32.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 2.1800000000000002 109.989 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 85.01 42.92 6.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.477 1.111 . . . . 1.1899999999999999 110.993 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.669 HD11 ' O ' ' A' ' 329' ' ' PRO . 22.1 mm -48.97 134.44 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 2.2400000000000002 109.341 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -94.71 -24.85 16.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.44 1.087 . . . . 2.7200000000000002 110.332 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -167.22 130.43 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.81000000000000005 109.323 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . 0.425 ' HB2' HG21 ' A' ' 332' ' ' ILE . . . -130.23 143.54 50.84 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.523 1.139 . . . . 0.81999999999999995 109.296 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 336' ' ' TYR . . . . . 0.461 ' CE1' ' CB ' ' A' ' 345' ' ' PHE . 13.1 p90 -153.62 125.39 7.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 3.5699999999999998 111.034 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 337' ' ' GLU . . . . . 0.669 ' HG3' HG22 ' A' ' 344' ' ' VAL . 0.0 OUTLIER -109.41 167.29 10.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 4.6600000000000001 110.309 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 338' ' ' ILE . . . . . . . . . . . . . 6.6 tp -150.14 124.61 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 4.29 109.345 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -74.36 -33.08 62.99 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 4.1900000000000004 110.334 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -53.0 -49.36 66.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 1.5900000000000001 109.203 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -93.33 -22.65 18.83 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.557 1.161 . . . . 3.5699999999999998 110.366 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 24.5 t30 60.29 43.58 13.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.168 . . . . 1.9099999999999999 109.352 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . 0.442 ' HG2' ' CD1' ' A' ' 354' ' ' LEU . 2.4 tt0 -131.35 136.96 48.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 2.4700000000000002 110.289 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 344' ' ' VAL . . . . . 0.669 HG22 ' HG3' ' A' ' 337' ' ' GLU . 43.9 t -94.78 163.11 2.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 1.25 109.322 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 345' ' ' PHE . . . . . 0.538 ' CE2' HD13 ' A' ' 354' ' ' LEU . 82.1 m-85 -151.37 129.94 12.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 2.9500000000000002 111.024 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.467 HD13 ' O ' ' A' ' 345' ' ' PHE . 2.7 mm? -122.61 122.73 39.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 1.9099999999999999 109.303 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -99.88 144.58 28.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 2.4300000000000002 110.961 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 348' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.32 123.99 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 3.2799999999999998 109.311 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 4.2 t0 51.09 -151.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 3.3100000000000001 109.298 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 350' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -85.93 44.69 1.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 2.9100000000000001 109.319 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -155.26 150.01 26.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 2.8100000000000001 109.249 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 352' ' ' TYR . . . . . 0.577 ' C ' ' CD1' ' A' ' 352' ' ' TYR . 1.0 OUTLIER -125.81 154.51 42.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 4.1600000000000001 110.968 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 353' ' ' TRP . . . . . 0.695 ' NE1' ' CE1' ' A' ' 364' ' ' TYR . 6.2 m-90 -121.96 127.33 50.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 4.8499999999999996 108.0 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 354' ' ' LEU . . . . . 0.588 ' C ' HD12 ' A' ' 355' ' ' ILE . 1.9 tp -114.94 111.94 21.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 2.0499999999999998 109.236 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.676 HG12 HD11 ' A' ' 328' ' ' LEU . 1.3 mp -107.6 156.4 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 2.3700000000000001 109.315 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 27.1 t -150.3 125.46 10.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 2.1600000000000001 109.977 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 61.25 37.47 17.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 2.8599999999999999 109.287 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 358' ' ' LEU . . . . . 0.467 HD12 ' O ' ' A' ' 358' ' ' LEU . 0.2 OUTLIER 63.46 33.86 13.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 3.6400000000000001 109.293 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.72 135.13 17.59 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 4.0899999999999999 110.279 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 360' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 140.6 25.86 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.449 1.763 . . . . 2.2400000000000002 110.998 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.62 146.87 47.81 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 2.9100000000000001 110.253 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 3.48 5.6 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.463 1.77 . . . . 3.2200000000000002 110.976 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 363' ' ' ASN . . . . . 0.447 ' C ' ' HD2' ' A' ' 365' ' ' PRO . 0.8 OUTLIER -126.61 25.27 6.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.088 . . . . 9.8499999999999996 109.304 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 364' ' ' TYR . . . . . 0.787 ' N ' ' CD ' ' A' ' 365' ' ' PRO . 0.1 OUTLIER -76.58 -31.94 0.99 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 11.98 111.013 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 365' ' ' PRO . . . . . 0.787 ' CD ' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -75.08 78.79 2.84 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.424 1.749 . . . . 2.8500000000000001 110.957 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 366' ' ' LYS . . . . . 0.575 ' HB2' ' CE2' ' A' ' 352' ' ' TYR . 9.0 mttm -129.84 166.3 20.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 3.3199999999999998 109.304 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 367' ' ' SER . . . . . 0.421 ' HB3' ' ND1' ' A' ' 369' ' ' HIS . 19.4 m -106.1 117.92 35.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 2.27 109.977 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 2.4 pt -57.66 -29.93 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 1.76 109.293 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 369' ' ' HIS . . . . . 0.521 ' HB2' ' CG ' ' A' ' 373' ' ' PHE . 1.1 p-80 -52.12 -22.06 3.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 3.0499999999999998 109.552 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 5.8 t -67.0 -9.82 43.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 2.6699999999999999 110.023 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 371' ' ' PHE . . . . . 0.541 ' C ' ' CD1' ' A' ' 371' ' ' PHE . 0.1 OUTLIER -92.89 20.27 6.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 8.6600000000000001 110.97 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . 119.81 -53.36 0.68 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.436 1.085 . . . . 4.0599999999999996 111.006 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 373' ' ' PHE . . . . . 0.521 ' CG ' ' HB2' ' A' ' 369' ' ' HIS . 32.5 t80 59.14 82.14 0.24 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 0.75 . . . . 4.9800000000000004 110.991 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 374' ' ' PRO . . . . . 0.629 ' HD2' HG21 ' A' ' 377' ' ' VAL . 18.1 Cg_endo -75.09 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.498 1.788 . . . . 2.4399999999999999 110.977 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -107.68 64.6 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 5.0800000000000001 109.32 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 172.85 38.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.146 . . . . 8.4000000000000004 110.936 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 377' ' ' VAL . . . . . 0.629 HG21 ' HD2' ' A' ' 374' ' ' PRO . 64.1 t -127.75 147.46 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 2.5299999999999998 109.285 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 2.4 mtmm 174.26 -36.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 4.0300000000000002 109.24 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 10.4 pttt -158.36 135.62 10.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.441 1.088 . . . . 1.9299999999999999 109.323 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 380' ' ' ILE . . . . . 0.518 HG22 ' N ' ' A' ' 381' ' ' ASP . 21.5 mt -100.13 167.49 2.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.89000000000000001 109.317 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 381' ' ' ASP . . . . . 0.518 ' N ' HG22 ' A' ' 380' ' ' ILE . 1.1 t0 -108.53 -47.69 3.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.588 1.18 . . . . 2.4900000000000002 109.273 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 382' ' ' ALA . . . . . 0.687 ' HB3' ' HD2' ' A' ' 395' ' ' PHE . . . -158.38 167.94 28.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.66000000000000003 109.278 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -137.67 117.33 13.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.128 . . . . 0.91000000000000003 109.325 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . 0.58 HG11 ' CG1' ' A' ' 432' ' ' VAL . 35.1 m -123.0 130.39 74.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.148 . . . . 3.52 109.282 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -110.54 135.59 50.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 1.78 111.007 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.57 123.62 31.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.179 . . . . 2.1800000000000002 109.278 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -17.78 19.28 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.512 1.796 . . . . 1.8799999999999999 110.961 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -73.83 -31.65 63.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 2.4900000000000002 110.345 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -114.0 -4.21 13.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 2.9500000000000002 110.941 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 53.32 19.13 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 3.73 111.042 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.03 159.08 21.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 4.1399999999999997 110.285 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 43.8 m -117.96 122.79 44.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.072 . . . . 0.76000000000000001 110.403 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . 0.435 ' HB2' ' CG2' ' A' ' 384' ' ' VAL . 10.8 m-30 -87.93 134.5 33.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.385 1.053 . . . . 2.1600000000000001 111.019 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -118.42 135.02 54.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 2.1800000000000002 111.022 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 395' ' ' PHE . . . . . 0.687 ' HD2' ' HB3' ' A' ' 382' ' ' ALA . 17.0 m-85 -106.14 116.19 31.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 1.1899999999999999 110.999 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 396' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 398' ' ' ASN . 45.0 t -106.42 82.09 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 1.7 109.323 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 69.23 -65.32 0.3 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.549 1.155 . . . . 3.9900000000000002 109.29 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 396' ' ' VAL . 46.9 p-10 -152.87 55.82 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 3.3799999999999999 109.261 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -144.86 155.62 43.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 2.4900000000000002 110.311 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -123.15 95.89 4.78 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.572 1.17 . . . . 2.5 111.058 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -97.36 164.89 12.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 5.2400000000000002 108.002 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -149.63 117.45 6.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 2.8500000000000001 110.352 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 403' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 404' ' ' ASP . 10.1 t80 -109.32 136.07 49.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 5.0700000000000003 110.972 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 404' ' ' ASP . . . . . 0.596 ' O ' ' CE1' ' A' ' 403' ' ' TYR . 0.4 OUTLIER -81.81 129.13 34.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 1.8100000000000001 109.267 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -98.21 -41.79 7.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 3.7599999999999998 110.355 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? -71.31 -27.71 63.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 6.1299999999999999 110.26 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 407' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.5 OUTLIER -98.98 -43.94 6.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 2.8399999999999999 110.269 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . 0.471 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 2.2 tt0 83.75 31.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 3.0600000000000001 110.289 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 7.2 tpt -135.66 96.62 3.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.167 . . . . 2.0600000000000001 110.972 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 410' ' ' MET . . . . . 0.415 ' HB3' ' CD2' ' A' ' 403' ' ' TYR . 0.0 OUTLIER -56.67 135.36 55.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 2.1000000000000001 110.986 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.87 139.33 17.06 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 2.4300000000000002 109.33 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 108.67 2.77 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.573 1.828 . . . . 2.3599999999999999 110.982 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 51.16 102.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 1.8999999999999999 110.974 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 414' ' ' TYR . . . . . 0.576 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 2.5 t80 -135.61 63.16 52.47 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.476 0.75 . . . . 1.8200000000000001 110.995 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 415' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.4 Cg_endo -75.0 71.34 5.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.555 1.819 . . . . 1.47 111.015 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . 0.576 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 17.2 mmtt -96.35 -174.17 2.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.15 . . . . 2.3599999999999999 109.343 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.8 tp -132.92 145.22 50.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 2.3300000000000001 109.327 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 418' ' ' ILE . . . . . 0.475 HG12 ' CD1' ' A' ' 395' ' ' PHE . 1.1 mp -68.62 -69.57 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.453 1.096 . . . . 1.24 109.262 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 419' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 418' ' ' ILE . 6.6 t -38.92 -31.15 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.98999999999999999 110.371 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 418' ' ' ILE . 45.1 mttt -69.42 -68.73 0.39 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 1.6299999999999999 109.266 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.66 -50.48 54.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 2.9399999999999999 109.342 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 422' ' ' PHE . . . . . 0.528 ' HB3' ' CE2' ' A' ' 451' ' ' TYR . 67.0 m-85 -121.57 103.1 8.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 2.4700000000000002 111.05 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -89.57 73.81 7.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 2.3700000000000001 110.277 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . 0.901 ' CA ' HD11 ' A' ' 458' ' ' ILE . . . -173.11 32.64 0.11 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.481 1.113 . . . . 2.6400000000000001 111.019 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 425' ' ' ILE . . . . . 0.631 HD13 ' H ' ' A' ' 426' ' ' GLY . 0.2 OUTLIER -151.27 -44.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.46 0.741 . . . . 2.2200000000000002 109.315 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 426' ' ' GLY . . . . . 0.631 ' H ' HD13 ' A' ' 425' ' ' ILE . . . 120.25 166.78 13.28 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.77000000000000002 111.026 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -11.63 21.41 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.542 1.811 . . . . 1.1100000000000001 111.026 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.54 136.69 54.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 3.3799999999999999 109.257 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 429' ' ' ILE . . . . . 0.441 HG21 ' CD2' ' A' ' 395' ' ' PHE . 7.0 tp -131.02 161.08 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 1.72 109.289 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 430' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 443' ' ' PHE . 1.0 OUTLIER -115.37 -63.84 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 2.9500000000000002 109.25 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 431' ' ' ALA . . . . . 0.824 ' HB1' HG22 ' A' ' 291' ' ' VAL . . . -142.57 142.95 32.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.80000000000000004 109.349 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.743 HG13 ' O ' ' A' ' 441' ' ' TYR . 11.7 t -141.92 139.28 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 2.6099999999999999 109.242 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 433' ' ' PHE . . . . . 0.45 ' CE2' ' CE1' ' A' ' 443' ' ' PHE . 8.0 p90 -143.55 147.89 35.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 2.5099999999999998 111.024 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -98.58 88.18 4.02 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.434 1.084 . . . . 3.5600000000000001 110.995 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 10.2 p -133.04 96.31 3.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.404 1.065 . . . . 2.75 110.027 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 436' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt 174.24 -161.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 4.0499999999999998 109.238 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -93.42 -36.88 12.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 3.8700000000000001 109.364 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -174.82 57.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 3.0499999999999998 109.32 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -144.84 161.61 38.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 2.1000000000000001 110.997 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -122.69 124.03 42.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 4.5599999999999996 110.99 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 441' ' ' TYR . . . . . 0.743 ' O ' HG13 ' A' ' 432' ' ' VAL . 4.6 m-85 -98.22 133.52 42.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 2.3700000000000001 111.043 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . 0.528 ' CE2' HG21 ' A' ' 425' ' ' ILE . 82.4 m-85 -124.75 132.73 53.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 3.1600000000000001 111.067 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 443' ' ' PHE . . . . . 0.45 ' CE1' ' CE2' ' A' ' 433' ' ' PHE . 9.6 m-85 -116.39 114.44 24.29 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.132 . . . . 4.7800000000000002 110.991 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 444' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 425' ' ' ILE . 1.2 mt-30 -117.46 79.71 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 4.6399999999999997 110.32 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 96.35 -101.86 2.7 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.459 1.1 . . . . 2.73 110.963 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 79.1 p -107.09 -48.36 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.746 . . . . 3.1800000000000002 110.004 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -80.15 146.73 31.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 2.1499999999999999 109.295 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 448' ' ' GLN . . . . . 0.559 ' HG3' HD23 ' A' ' 462' ' ' LEU . 0.7 OUTLIER -132.6 127.61 35.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 3.5899999999999999 110.301 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 449' ' ' PHE . . . . . 0.573 ' HD2' HG21 ' A' ' 458' ' ' ILE . 6.1 m-85 -99.48 162.37 13.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 2.5499999999999998 111.027 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 0.564 ' HG3' ' CE1' ' A' ' 441' ' ' TYR . 1.4 tt0 -124.79 141.77 51.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 2.96 110.269 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 451' ' ' TYR . . . . . 0.528 ' CE2' ' HB3' ' A' ' 422' ' ' PHE . 0.9 OUTLIER -106.65 137.35 44.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 2.7200000000000002 110.977 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -116.25 90.43 3.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 3.7400000000000002 109.294 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -48.86 -24.44 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 3.9300000000000002 111.048 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 10.4 tp -42.28 -37.04 1.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 2.2400000000000002 109.321 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -166.29 32.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.534 1.146 . . . . 1.99 109.333 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 41.0 69.22 0.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 3.04 110.271 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.4 154.1 50.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 3.5099999999999998 110.334 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 458' ' ' ILE . . . . . 0.901 HD11 ' CA ' ' A' ' 424' ' ' GLY . 13.8 mt -117.41 102.38 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 1.6100000000000001 109.276 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 3.2 t -126.24 39.11 4.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 3.1299999999999999 110.448 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.51 102.89 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 3.2000000000000002 109.341 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 14.6 p -133.95 119.82 19.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.092 . . . . 2.1400000000000001 110.41 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 462' ' ' LEU . . . . . 0.559 HD23 ' HG3' ' A' ' 448' ' ' GLN . 0.5 OUTLIER -143.37 178.8 7.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 2.0499999999999998 109.296 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.86 164.15 12.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.495 1.122 . . . . 2.54 109.275 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 1.5 t -51.69 -47.26 63.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 2.4399999999999999 110.003 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 465' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 283' ' ' ASP . 8.8 p30 -92.1 59.98 3.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 2.5899999999999999 109.297 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . 0.483 ' HB3' HD12 ' A' ' 462' ' ' LEU . 22.4 t -109.99 -12.46 14.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 2.3199999999999998 110.025 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -107.28 -36.19 6.6 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.958 -1.127 . . . . 3.9500000000000002 107.958 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 468' ' ' PHE . . . . . 0.459 ' CD1' HD22 ' A' ' 281' ' ' LEU . 64.6 t80 -47.75 -41.79 23.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 7.2199999999999998 110.923 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 121.18 43.18 0.44 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 2.5800000000000001 111.014 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 470' ' ' CYS . . . . . 1.155 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 108.288 -1.004 . . . . 3.5299999999999998 108.288 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 281' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.257 -0.646 . . . . 3.0499999999999998 109.257 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 282' ' ' CYS . . . . . 1.073 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 1.3 t -156.89 38.86 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 3.1800000000000002 108.32 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -144.77 138.68 14.63 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 3.9399999999999999 109.24 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 80.63 2.39 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.422 1.749 . . . . 2.4300000000000002 110.983 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -174.43 49.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 3.0600000000000001 109.299 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.53 157.49 18.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.598 1.186 . . . . 3.46 109.32 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 37.5 p -143.8 166.33 25.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 1.6799999999999999 109.982 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -131.58 172.11 12.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 2.4900000000000002 111.021 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.36 -52.45 2.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 2.2599999999999998 109.281 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -143.79 151.13 39.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.81000000000000005 109.288 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 291' ' ' VAL . . . . . . . . . . . . . 9.0 t -140.75 140.44 33.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 2.0299999999999998 109.323 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . 0.513 ' HB ' ' HB1' ' A' ' 335' ' ' ALA . 1.8 t -144.48 168.09 20.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 1.4299999999999999 110.41 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 293' ' ' THR . . . . . 0.457 ' O ' ' CG ' ' A' ' 337' ' ' GLU . 51.8 m -123.19 148.39 45.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 2.6699999999999999 110.383 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 294' ' ' VAL . . . . . 0.497 HG13 ' O ' ' A' ' 294' ' ' VAL . 9.8 p -137.95 67.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 2.6800000000000002 109.319 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 94.4 -86.81 1.07 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.435 1.084 . . . . 2.0299999999999998 110.967 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -134.35 12.66 3.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 0.747 . . . . 3.3900000000000001 109.375 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.463 ' HB2' HG13 ' A' ' 294' ' ' VAL . 9.5 mtmt -109.25 164.89 12.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 2.4900000000000002 109.351 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 298' ' ' ILE . . . . . 0.983 HD13 ' CZ ' ' A' ' 300' ' ' PHE . 2.4 pp -135.6 150.43 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 3.2599999999999998 109.217 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 299' ' ' PHE . . . . . 0.657 ' CE2' HD23 ' A' ' 308' ' ' LEU . 24.2 m-85 -140.7 119.03 12.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 3.02 111.042 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 300' ' ' PHE . . . . . 0.983 ' CZ ' HD13 ' A' ' 298' ' ' ILE . 8.6 m-85 -106.5 108.71 20.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 2.3900000000000001 111.001 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -86.91 144.96 26.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 2.7599999999999998 111.021 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.15 -58.92 1.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 3.0899999999999999 109.315 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -166.33 -60.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 2.9399999999999999 109.271 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.44 -15.28 10.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 5.0 110.262 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -122.77 165.36 16.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 2.6400000000000001 110.986 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 306' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -134.78 154.87 51.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 1.6299999999999999 110.961 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 307' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -102.64 160.97 14.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 4.6699999999999999 108.034 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . 0.657 HD23 ' CE2' ' A' ' 299' ' ' PHE . 2.2 tm? -146.64 74.06 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 1.79 109.28 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 309' ' ' LYS . . . . . 0.691 ' O ' HD11 ' A' ' 298' ' ' ILE . 13.4 tptp -103.36 92.12 4.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 2.8700000000000001 109.343 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 310' ' ' VAL . . . . . 0.507 ' O ' ' CD ' ' A' ' 313' ' ' ARG . 0.6 OUTLIER -175.65 -179.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 2.6400000000000001 109.293 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 311' ' ' SER . . . . . 0.489 ' H ' HG22 ' A' ' 310' ' ' VAL . 14.2 t 40.28 90.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.579 1.174 . . . . 4.7199999999999998 110.032 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 312' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 311' ' ' SER . 0.4 OUTLIER 37.36 70.79 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 4.1799999999999997 110.283 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 313' ' ' ARG . . . . . 0.507 ' CD ' ' O ' ' A' ' 310' ' ' VAL . 0.1 OUTLIER -115.15 106.3 51.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 3.75 110.307 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -10.61 21.23 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.529 1.805 . . . . 1.8700000000000001 110.98 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -166.23 160.08 15.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 4.0099999999999998 109.289 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 24.8 p -77.19 163.94 26.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 1.1000000000000001 110.382 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 26.5 p -120.86 164.82 16.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 3.5499999999999998 109.997 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 95.2 t -148.98 90.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 1.98 109.268 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -124.36 173.16 8.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 2.3100000000000001 109.307 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 1.5 tt -90.2 153.21 20.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.148 . . . . 1.78 109.287 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 321' ' ' ILE . . . . . . . . . . . . . 2.2 mp -61.07 -67.44 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 1.3 109.377 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.76 -33.33 1.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.165 . . . . 2.7799999999999998 109.989 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 3.3 t -44.08 -43.68 7.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 1.4299999999999999 109.991 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 2.2 mp -103.07 -79.05 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 1.8999999999999999 109.348 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 325' ' ' TRP . . . . . 0.804 ' HB3' HD23 ' A' ' 328' ' ' LEU . 0.4 OUTLIER -49.05 154.01 1.43 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 1.73 108.017 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -80.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.469 1.773 . . . . 1.1100000000000001 111.006 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 327' ' ' THR . . . . . 0.656 ' C ' HD22 ' A' ' 328' ' ' LEU . 5.0 t -123.7 97.73 5.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 1.45 110.436 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 328' ' ' LEU . . . . . 0.804 HD23 ' HB3' ' A' ' 325' ' ' TRP . 4.0 mm? -132.82 152.69 80.31 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 1.99 109.342 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 329' ' ' PRO . . . . . 0.543 ' HG3' ' CE3' ' A' ' 353' ' ' TRP . 18.3 Cg_endo -75.0 132.22 15.17 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.513 1.796 . . . . 2.0600000000000001 111.035 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 7.3 p -97.08 150.06 21.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 2.2599999999999998 109.964 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 88.92 22.02 40.41 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.55 1.156 . . . . 1.3899999999999999 111.014 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.573 HG21 HD12 ' A' ' 346' ' ' LEU . 1.9 mt -42.31 151.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 1.46 109.318 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.37 -36.45 3.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 3.8799999999999999 110.335 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -132.6 110.32 10.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.95999999999999996 109.354 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . 0.513 ' HB1' ' HB ' ' A' ' 292' ' ' THR . . . -105.57 120.02 40.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.421 1.076 . . . . 1.02 109.356 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 336' ' ' TYR . . . . . 0.428 ' CG ' ' N ' ' A' ' 337' ' ' GLU . 41.2 t80 -116.32 162.57 17.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.466 1.103 . . . . 3.9300000000000002 111.065 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 337' ' ' GLU . . . . . 0.457 ' CG ' ' O ' ' A' ' 293' ' ' THR . 36.4 tp10 -133.09 130.02 38.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 3.8399999999999999 110.318 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 338' ' ' ILE . . . . . 0.684 HG23 ' O ' ' A' ' 338' ' ' ILE . 9.1 tt -97.03 84.52 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.606 1.191 . . . . 4.4000000000000004 109.341 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.53 68.91 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 3.4399999999999999 110.345 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -157.57 -52.75 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 1.96 109.251 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.63 8.42 44.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 4.9699999999999998 110.303 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 61.0 t30 55.38 68.78 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 2.1099999999999999 109.328 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . 0.471 ' HB2' ' CG2' ' A' ' 338' ' ' ILE . 34.3 mt-30 -145.08 178.96 7.67 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.458 1.099 . . . . 2.6600000000000001 110.29 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 344' ' ' VAL . . . . . . . . . . . . . 67.0 t -127.08 146.03 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 1.3799999999999999 109.262 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 345' ' ' PHE . . . . . 0.407 ' O ' HD22 ' A' ' 346' ' ' LEU . 0.9 OUTLIER -126.77 129.28 48.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 2.6299999999999999 110.999 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.573 HD12 HG21 ' A' ' 332' ' ' ILE . 2.3 mm? -130.64 139.47 50.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.615 1.197 . . . . 1.9099999999999999 109.287 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -117.53 149.02 41.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 2.6200000000000001 111.025 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 348' ' ' LYS . . . . . 0.507 ' O ' ' C ' ' A' ' 349' ' ' ASP . 9.4 ttpt -124.46 59.62 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 5.3700000000000001 109.282 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . 0.507 ' C ' ' O ' ' A' ' 348' ' ' LYS . 20.8 m-20 32.0 49.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 6.7999999999999998 109.254 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 350' ' ' ASP . . . . . 0.929 ' O ' HG23 ' A' ' 368' ' ' ILE . 0.5 OUTLIER 162.4 -72.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.535 1.147 . . . . 3.8199999999999998 109.309 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 366' ' ' LYS . 16.3 mttt -104.53 159.14 15.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 2.7999999999999998 109.296 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 352' ' ' TYR . . . . . 0.534 ' CD1' ' N ' ' A' ' 352' ' ' TYR . 2.1 p90 -146.36 128.02 15.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 2.8700000000000001 110.943 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 353' ' ' TRP . . . . . 0.543 ' CE3' ' HG3' ' A' ' 329' ' ' PRO . 3.1 m-90 -90.3 177.8 6.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 3.5699999999999998 108.031 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 354' ' ' LEU . . . . . 0.753 ' O ' HD23 ' A' ' 354' ' ' LEU . 0.4 OUTLIER -145.5 114.83 7.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 2.5499999999999998 109.26 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 355' ' ' ILE . 5.2 mp -87.85 101.78 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 1.6399999999999999 109.288 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 356' ' ' SER . . . . . 0.408 ' HB2' ' NE2' ' A' ' 343' ' ' GLN . 0.4 OUTLIER -98.97 118.67 36.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 1.6399999999999999 110.02 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 60.69 37.07 19.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 2.9100000000000001 109.265 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 4.3 mt 68.92 35.61 2.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 4.2400000000000002 109.282 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.3 116.62 2.97 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 4.5899999999999999 110.345 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 360' ' ' PRO . . . . . 0.467 ' HG3' HD21 ' A' ' 328' ' ' LEU . 18.2 Cg_endo -74.95 123.72 8.12 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.576 1.829 . . . . 1.27 110.969 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -52.04 129.3 39.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 3.2799999999999998 110.309 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 143.55 29.25 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.414 1.744 . . . . 2.5299999999999998 110.988 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 363' ' ' ASN . . . . . . . . . . . . . 5.3 m120 60.04 61.49 1.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 4.3700000000000001 109.294 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 364' ' ' TYR . . . . . 0.524 ' CG ' ' HE3' ' A' ' 366' ' ' LYS . 0.2 OUTLIER -132.9 60.58 50.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 3.6499999999999999 110.934 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 365' ' ' PRO . . . . . 0.459 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -74.95 43.98 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 1.8 110.976 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 366' ' ' LYS . . . . . 0.524 ' HE3' ' CG ' ' A' ' 364' ' ' TYR . 0.1 OUTLIER -44.8 141.1 2.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 2.71 109.295 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -127.5 126.1 41.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 2.1000000000000001 109.97 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 368' ' ' ILE . . . . . 0.929 HG23 ' O ' ' A' ' 350' ' ' ASP . 12.4 pt -64.62 -35.37 74.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.405 1.065 . . . . 1.79 109.32 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -33.28 75.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 2.9900000000000002 109.563 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.98 -8.65 39.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 2.6099999999999999 109.994 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -89.04 7.61 33.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 5.29 110.95 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . 124.55 -30.77 4.6 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.47 1.106 . . . . 3.7599999999999998 110.962 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 373' ' ' PHE . . . . . . . . . . . . . 69.6 t80 55.23 94.24 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.445 0.733 . . . . 5.2199999999999998 110.984 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 374' ' ' PRO . . . . . 0.561 ' HB3' ' CZ2' ' A' ' 401' ' ' TRP . 18.4 Cg_endo -75.09 -161.0 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 3.02 111.006 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 375' ' ' ASN . . . . . 0.466 ' O ' ' C ' ' A' ' 376' ' ' PHE . 83.4 m-20 -53.02 89.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 6.8300000000000001 109.26 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 376' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 374' ' ' PRO . 76.1 m-85 32.68 74.97 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 4.7999999999999998 110.96 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 377' ' ' VAL . . . . . 0.775 HG22 HG11 ' A' ' 396' ' ' VAL . 95.4 t -118.76 81.85 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 3.21 109.326 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 378' ' ' LYS . . . . . 0.584 ' HA ' HD11 ' A' ' 368' ' ' ILE . 0.0 OUTLIER -108.16 -19.61 13.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 4.7599999999999998 109.276 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -127.3 122.54 34.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 2.54 109.289 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 60.7 mt -100.94 157.49 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.445 1.09 . . . . 1.24 109.316 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -93.78 -49.56 5.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 2.27 109.343 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 382' ' ' ALA . . . . . 0.739 ' HB2' ' HA ' ' A' ' 431' ' ' ALA . . . -158.43 164.48 36.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.79000000000000004 109.31 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 383' ' ' ALA . . . . . 0.482 ' HB1' ' CE1' ' A' ' 394' ' ' PHE . . . -154.42 123.76 6.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.579 1.175 . . . . 0.63 109.32 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 385' ' ' PHE . 2.3 t -148.83 158.65 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 2.52 109.349 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 385' ' ' PHE . . . . . 0.422 ' N ' ' CG1' ' A' ' 384' ' ' VAL . 69.1 t80 -87.98 155.08 20.01 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 2.79 110.956 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -119.3 102.87 47.91 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 2.8599999999999999 109.298 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 387' ' ' PRO . . . . . 0.413 ' C ' ' HG2' ' A' ' 388' ' ' ARG . 18.1 Cg_endo -75.02 49.6 2.3 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.506 1.793 . . . . 3.96 110.932 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 388' ' ' ARG . . . . . 0.413 ' HG2' ' C ' ' A' ' 387' ' ' PRO . 2.4 mmm180 -155.78 -39.52 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 3.46 110.3 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -103.32 -1.39 28.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 3.02 110.978 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 52.79 34.97 17.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 3.46 110.973 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -140.43 159.85 41.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 3.6099999999999999 110.267 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 93.5 m -97.27 116.23 29.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.72999999999999998 110.37 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -84.02 101.06 11.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 2.73 111.081 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 394' ' ' PHE . . . . . 0.482 ' CE1' ' HB1' ' A' ' 383' ' ' ALA . 37.1 m-85 -97.13 131.55 43.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 2.46 110.974 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -102.83 115.98 31.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 1.1599999999999999 110.999 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 396' ' ' VAL . . . . . 0.775 HG11 HG22 ' A' ' 377' ' ' VAL . 11.4 t -109.98 92.92 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 2.0099999999999998 109.231 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 59.0 -88.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 3.6600000000000001 109.265 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 396' ' ' VAL . 48.4 t-20 -135.59 49.94 2.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 4.0899999999999999 109.345 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -149.76 161.0 43.1 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.488 1.117 . . . . 3.0 110.308 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 400' ' ' TYR . . . . . 0.569 ' CE2' ' HA ' ' A' ' 418' ' ' ILE . 0.1 OUTLIER -120.32 110.55 16.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 4.4800000000000004 111.009 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 401' ' ' TRP . . . . . 0.561 ' CZ2' ' HB3' ' A' ' 374' ' ' PRO . 3.9 m95 -113.75 94.67 4.95 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.982 -1.118 . . . . 5.6600000000000001 107.982 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.57 121.77 28.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 3.1600000000000001 110.303 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -99.85 158.3 15.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 6.3799999999999999 110.95 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -99.8 122.72 43.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 2.5600000000000001 109.306 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.11 -54.31 4.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 3.3900000000000001 110.28 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -32.63 74.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 5.2000000000000002 110.328 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.27 -43.77 11.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 2.9900000000000002 110.285 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 75.97 42.8 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 2.9500000000000002 110.284 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -145.64 107.42 4.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 2.0299999999999998 111.016 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.26 127.92 34.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 2.0800000000000001 111.077 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.74 137.4 24.85 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 2.8999999999999999 109.298 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 114.96 4.15 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.452 1.764 . . . . 2.4900000000000002 110.964 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 44.34 95.31 0.01 OUTLIER Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.534 1.146 . . . . 2.23 110.952 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 414' ' ' TYR . . . . . 0.444 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 1.7 t80 -134.02 63.16 61.09 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.556 0.797 . . . . 2.5499999999999998 110.953 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 415' ' ' PRO . . . . . 0.416 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -75.0 76.41 3.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 1.75 111.037 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . 0.444 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 23.3 mmtt -89.13 -170.78 3.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 2.5600000000000001 109.256 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 417' ' ' LEU . . . . . 0.482 HD22 ' HD2' ' A' ' 420' ' ' LYS . 0.0 OUTLIER -135.44 139.64 44.27 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.508 1.13 . . . . 2.4700000000000002 109.244 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 418' ' ' ILE . . . . . 0.569 ' HA ' ' CE2' ' A' ' 400' ' ' TYR . 7.4 mt -70.32 -66.13 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 1.3100000000000001 109.323 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 419' ' ' THR . . . . . 0.424 HG22 HD23 ' A' ' 417' ' ' LEU . 5.5 t -44.67 -47.56 10.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 1.5 110.343 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . 0.482 ' HD2' HD22 ' A' ' 417' ' ' LEU . 37.4 mttt -58.35 -74.7 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.097 . . . . 2.0099999999999998 109.35 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -40.22 -40.54 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 3.4700000000000002 109.27 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 422' ' ' PHE . . . . . 0.566 ' CE2' ' HG2' ' A' ' 456' ' ' GLN . 24.5 m-85 -142.73 118.55 10.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 3.6000000000000001 111.008 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -98.68 115.09 27.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 2.4700000000000002 110.326 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 157.68 -35.76 0.54 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.533 1.146 . . . . 1.52 111.014 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 425' ' ' ILE . . . . . 0.525 ' H ' HD13 ' A' ' 425' ' ' ILE . 0.0 OUTLIER -86.81 -36.95 10.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.569 0.805 . . . . 2.4700000000000002 109.261 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 111.65 174.2 19.73 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.532 1.145 . . . . 1.22 110.978 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -20.3 17.07 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.481 1.779 . . . . 1.26 111.048 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -122.47 142.18 50.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 2.7200000000000002 109.289 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 429' ' ' ILE . . . . . 0.56 HG12 ' CD1' ' A' ' 442' ' ' PHE . 2.6 tp -138.05 130.84 40.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.443 1.089 . . . . 1.8100000000000001 109.322 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 430' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 443' ' ' PHE . 4.1 t0 -71.82 -68.18 0.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 2.2400000000000002 109.25 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 431' ' ' ALA . . . . . 0.739 ' HA ' ' HB2' ' A' ' 382' ' ' ALA . . . -158.48 174.51 14.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 1.02 109.256 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.57 ' HB ' ' CD1' ' A' ' 442' ' ' PHE . 0.7 OUTLIER -159.8 164.2 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 2.4500000000000002 109.344 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 433' ' ' PHE . . . . . 0.496 ' N ' ' CG2' ' A' ' 432' ' ' VAL . 4.7 p90 -152.69 145.74 24.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 2.7599999999999998 111.006 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 434' ' ' TYR . . . . . 0.427 ' O ' ' CG ' ' A' ' 434' ' ' TYR . 22.2 t80 -109.35 80.2 1.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 3.23 110.988 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 22.6 t -112.27 -19.06 12.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 2.8900000000000001 110.061 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 436' ' ' LYS . . . . . 0.583 ' HG2' ' CE1' ' A' ' 441' ' ' TYR . 0.1 OUTLIER -65.13 -168.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 5.5199999999999996 109.313 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -85.46 -46.54 10.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 3.46 109.308 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 438' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 438' ' ' LYS . 3.8 tppp? -163.74 61.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 3.9500000000000002 109.279 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -146.27 176.38 9.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 2.3199999999999998 111.034 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -134.14 103.05 5.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 3.7000000000000002 110.995 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 441' ' ' TYR . . . . . 0.583 ' CE1' ' HG2' ' A' ' 436' ' ' LYS . 4.3 m-85 -93.21 117.72 30.4 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.112 . . . . 2.7599999999999998 110.979 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . 0.57 ' CD1' ' HB ' ' A' ' 432' ' ' VAL . 50.2 m-85 -110.16 142.89 41.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 3.1699999999999999 110.973 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 443' ' ' PHE . . . . . 0.538 ' CZ ' ' HG3' ' A' ' 448' ' ' GLN . 17.6 m-85 -111.88 108.72 18.2 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.461 1.101 . . . . 4.3200000000000003 110.969 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -110.19 80.24 1.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 3.1699999999999999 110.316 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 84.72 -116.09 4.22 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.562 1.164 . . . . 2.0499999999999998 110.993 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 17.7 p -109.72 43.83 1.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 0.791 . . . . 1.9399999999999999 110.048 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -150.03 138.75 20.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 2.7799999999999998 109.325 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 448' ' ' GLN . . . . . 0.725 ' NE2' HD21 ' A' ' 462' ' ' LEU . 0.1 OUTLIER -124.39 94.76 4.3 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.48 1.112 . . . . 3.8799999999999999 110.263 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 449' ' ' PHE . . . . . 0.556 ' HB2' ' CE1' ' A' ' 451' ' ' TYR . 73.5 m-85 -80.69 143.45 33.01 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.508 1.13 . . . . 2.9300000000000002 111.044 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 0.532 ' HG2' ' CZ ' ' A' ' 441' ' ' TYR . 1.2 mt-10 -100.68 106.03 17.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 5.79 110.353 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 451' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 449' ' ' PHE . 36.2 m-85 -98.41 172.05 7.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 9.2100000000000009 111.037 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -154.72 93.23 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 2.9399999999999999 109.237 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . 0.5 ' C ' ' CD1' ' A' ' 453' ' ' PHE . 2.2 t80 -49.24 -20.6 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 4.4000000000000004 110.999 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 49.2 tp -42.69 -27.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.598 1.186 . . . . 3.52 109.324 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.437 ' N ' ' C ' ' A' ' 453' ' ' PHE . 1.8 pt? -161.29 27.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 2.6400000000000001 109.295 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 456' ' ' GLN . . . . . 0.566 ' HG2' ' CE2' ' A' ' 422' ' ' PHE . 9.7 mp0 39.24 61.15 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 3.52 110.306 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -146.0 151.72 38.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 5.3600000000000003 110.295 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 4.0 mt -92.63 147.65 5.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 2.04 109.32 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.29 -39.99 4.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 2.4900000000000002 110.413 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 460' ' ' LYS . . . . . 0.46 ' C ' ' CG2' ' A' ' 461' ' ' THR . 0.0 OUTLIER -158.75 176.34 12.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 5.4100000000000001 109.25 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 461' ' ' THR . . . . . 0.46 ' CG2' ' C ' ' A' ' 460' ' ' LYS . 5.8 p -150.68 122.41 8.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.581 1.176 . . . . 2.5299999999999998 110.385 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 462' ' ' LEU . . . . . 0.859 HD12 ' CB ' ' A' ' 466' ' ' SER . 2.3 pt? -125.63 161.31 27.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 1.9199999999999999 109.339 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.44 148.78 25.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 2.54 109.35 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 3.1 t -47.17 -28.57 1.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 2.2400000000000002 109.951 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -96.46 58.18 1.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 3.3599999999999999 109.272 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . 0.859 ' CB ' HD12 ' A' ' 462' ' ' LEU . 0.4 OUTLIER -116.73 -9.75 11.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 2.5299999999999998 110.01 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 17.2 m95 -105.8 -58.89 1.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.999 -1.111 . . . . 3.96 107.999 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 468' ' ' PHE . . . . . 0.524 ' CD1' ' HB2' ' A' ' 470' ' ' CYS . 2.7 t80 -42.22 -50.4 4.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 6.9699999999999998 110.958 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 123.49 44.37 0.32 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.555 1.159 . . . . 2.2999999999999998 110.995 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 470' ' ' CYS . . . . . 1.073 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 N-CA-C 108.306 -0.998 . . . . 3.6699999999999999 108.306 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 281' ' ' LEU . . . . . 0.681 HD22 ' CE2' ' A' ' 468' ' ' PHE . 14.4 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.331 -0.618 . . . . 3.8300000000000001 109.331 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 282' ' ' CYS . . . . . 1.06 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 0.8 OUTLIER 159.28 51.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.445 1.091 . . . . 3.4399999999999999 108.282 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -178.79 123.78 0.24 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 3.0299999999999998 109.298 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 87.06 1.36 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.519 1.8 . . . . 2.0499999999999998 111.039 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 285' ' ' ASN . . . . . 0.578 HD22 ' N ' ' A' ' 285' ' ' ASN . 0.0 OUTLIER 178.96 45.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 3.2799999999999998 109.283 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 3.1 tp -92.25 141.34 28.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 2.4399999999999999 109.249 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 35.0 p -128.45 148.92 50.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 1.6799999999999999 109.939 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -128.13 178.44 6.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.557 1.161 . . . . 2.5499999999999998 110.965 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -106.21 -50.81 3.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 2.7799999999999998 109.278 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -143.74 137.0 27.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.80000000000000004 109.331 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 291' ' ' VAL . . . . . 0.511 ' H ' ' HB1' ' A' ' 431' ' ' ALA . 97.2 t -130.79 131.36 64.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 2.8799999999999999 109.327 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 6.0 t -154.62 158.08 39.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 1.8799999999999999 110.379 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 293' ' ' THR . . . . . 0.648 HG21 ' HA ' ' A' ' 435' ' ' SER . 14.6 t -106.47 160.03 15.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 2.6000000000000001 110.38 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 294' ' ' VAL . . . . . 0.77 HG23 ' HB2' ' A' ' 297' ' ' LYS . 21.2 m -149.26 70.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.575 1.172 . . . . 3.5 109.314 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 295' ' ' GLY . . . . . 0.475 ' O ' ' CB ' ' A' ' 296' ' ' ASN . . . 78.08 48.46 7.62 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.424 1.077 . . . . 3.4199999999999999 110.965 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 296' ' ' ASN . . . . . 0.671 ' O ' HG21 ' A' ' 310' ' ' VAL . 0.2 OUTLIER 80.17 4.51 1.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.759 . . . . 4.25 109.303 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.77 ' HB2' HG23 ' A' ' 294' ' ' VAL . 3.8 mtmm -99.71 115.17 28.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 2.4500000000000002 109.263 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -86.44 133.52 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 3.8999999999999999 109.233 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 299' ' ' PHE . . . . . 0.452 ' CE1' HG21 ' A' ' 294' ' ' VAL . 6.0 m-85 -127.32 83.67 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 3.0600000000000001 110.971 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 300' ' ' PHE . . . . . 0.424 ' HB2' ' CB ' ' A' ' 307' ' ' TRP . 16.2 m-85 -83.64 104.67 13.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 3.8100000000000001 110.993 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -81.52 143.5 31.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 2.4100000000000001 111.043 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 11.6 mmtp -109.42 -60.49 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 4.2999999999999998 109.318 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -166.15 -60.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 2.71 109.309 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.03 -18.53 11.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 4.1500000000000004 110.279 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 305' ' ' PHE . . . . . 0.529 ' CE1' HD12 ' A' ' 320' ' ' LEU . 20.2 m-85 -124.2 166.92 15.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 2.6800000000000002 110.982 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 306' ' ' PHE . . . . . 0.525 ' CE2' ' HB3' ' A' ' 319' ' ' ASN . 25.2 p90 -121.54 171.04 9.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 1.73 110.992 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 307' ' ' TRP . . . . . 0.464 ' CE2' ' CB ' ' A' ' 316' ' ' THR . 0.0 OUTLIER -119.41 139.43 52.04 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.009 -1.108 . . . . 5.4400000000000004 108.009 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 56.3 tp -146.71 112.76 5.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 2.3700000000000001 109.355 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.83 105.32 2.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 2.3100000000000001 109.332 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 310' ' ' VAL . . . . . 0.671 HG21 ' O ' ' A' ' 296' ' ' ASN . 0.3 OUTLIER -170.65 -73.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 2.4900000000000002 109.259 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 311' ' ' SER . . . . . 0.633 ' H ' HG13 ' A' ' 310' ' ' VAL . 31.1 t -36.15 -76.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.598 1.186 . . . . 4.8899999999999997 110.05 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.03 76.15 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 7.2000000000000002 110.3 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.3 132.1 23.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 4.1200000000000001 110.264 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.57 3.7 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.498 1.788 . . . . 3.02 111.031 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 315' ' ' LYS . . . . . 0.403 ' HG2' ' CE2' ' A' ' 468' ' ' PHE . 0.0 OUTLIER -142.09 164.72 29.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 3.4500000000000002 109.286 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . 0.464 ' CB ' ' CE2' ' A' ' 307' ' ' TRP . 62.8 p -82.38 126.64 32.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 2.1800000000000002 110.429 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 16.8 m -99.83 141.73 32.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 2.29 109.989 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 11.8 m -103.57 70.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 2.6000000000000001 109.261 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 319' ' ' ASN . . . . . 0.525 ' HB3' ' CE2' ' A' ' 306' ' ' PHE . 2.3 m-20 -81.62 162.87 22.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 2.4399999999999999 109.318 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.529 HD12 ' CE1' ' A' ' 305' ' ' PHE . 0.8 OUTLIER -88.99 153.51 20.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 1.9299999999999999 109.269 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 321' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.13 -68.34 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 1.1000000000000001 109.318 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 32.4 t -40.67 -33.05 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 2.8500000000000001 109.962 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 1.4 t -44.19 -44.24 7.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 1.8899999999999999 110.011 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 7.2 mt -102.23 -79.83 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 2.4300000000000002 109.303 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 325' ' ' TRP . . . . . 0.779 ' HB3' HD23 ' A' ' 328' ' ' LEU . 0.2 OUTLIER -47.45 151.71 1.33 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 1.79 108.026 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 -76.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.527 1.804 . . . . 1.55 111.006 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 327' ' ' THR . . . . . 0.77 ' O ' HD22 ' A' ' 328' ' ' LEU . 10.0 t -122.85 95.95 4.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 1.47 110.416 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 328' ' ' LEU . . . . . 0.86 HD11 HD11 ' A' ' 355' ' ' ILE . 4.5 mm? -130.22 155.4 80.91 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 1.73 109.25 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 329' ' ' PRO . . . . . 0.406 ' HG2' ' CD1' ' A' ' 332' ' ' ILE . 18.3 Cg_endo -74.97 125.06 9.1 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.539 1.81 . . . . 2.1899999999999999 110.991 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 66.5 m -81.46 142.99 32.41 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.515 1.135 . . . . 2.2799999999999998 110.003 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 76.16 40.85 28.3 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.123 . . . . 1.1799999999999999 110.955 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.765 HG13 HD12 ' A' ' 346' ' ' LEU . 33.2 mm -41.84 152.97 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 2.3500000000000001 109.35 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -100.26 -47.67 4.86 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.437 1.086 . . . . 3.3999999999999999 110.291 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -144.85 118.62 9.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.91000000000000003 109.292 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -114.12 136.95 52.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 1.26 109.3 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 336' ' ' TYR . . . . . 0.517 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 9.8 p90 -154.93 126.22 7.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 2.8500000000000001 111.006 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.81 150.61 20.51 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 1.149 . . . . 3.8100000000000001 110.306 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 338' ' ' ILE . . . . . 0.575 HG23 ' O ' ' A' ' 338' ' ' ILE . 13.9 tt -119.37 102.23 12.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 3.0600000000000001 109.294 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -78.2 81.71 4.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 4.0899999999999999 110.306 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -163.01 -59.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 1.8300000000000001 109.323 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -103.86 0.55 30.38 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.417 1.073 . . . . 5.71 110.311 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 2.6 t30 60.01 56.57 3.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 2.2599999999999998 109.333 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . 0.586 ' NE2' HD11 ' A' ' 354' ' ' LEU . 14.5 mt-30 -124.99 131.34 53.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 2.75 110.334 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 344' ' ' VAL . . . . . 0.583 HG12 ' CD2' ' A' ' 346' ' ' LEU . 17.9 t -96.7 141.86 14.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.415 1.072 . . . . 1.1499999999999999 109.327 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 345' ' ' PHE . . . . . 0.688 ' C ' HD22 ' A' ' 346' ' ' LEU . 37.0 m-85 -126.2 125.42 42.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 3.29 111.004 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.765 HD12 HG13 ' A' ' 332' ' ' ILE . 4.1 mm? -123.82 114.31 19.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 1.4299999999999999 109.259 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -88.24 141.37 28.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 2.5499999999999998 111.011 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 348' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.0 OUTLIER -161.4 114.91 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 3.3700000000000001 109.277 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 55.49 -149.35 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 4.2999999999999998 109.287 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 350' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 12.0 p-10 -88.71 41.05 1.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 3.0 109.357 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 366' ' ' LYS . 25.9 mtmt -155.87 153.32 29.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 2.1400000000000001 109.341 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 352' ' ' TYR . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 366' ' ' LYS . 24.3 p90 -145.38 138.63 26.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 2.6600000000000001 111.04 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -97.81 166.59 11.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 3.73 107.98 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 354' ' ' LEU . . . . . 0.586 HD11 ' NE2' ' A' ' 343' ' ' GLN . 4.6 tp -132.18 120.45 22.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 2.3599999999999999 109.268 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.86 HD11 HD11 ' A' ' 328' ' ' LEU . 4.6 mp -97.73 99.03 8.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 1.6499999999999999 109.311 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 15.1 t -102.13 125.71 48.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 2.2999999999999998 109.988 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 60.57 42.4 14.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 3.8399999999999999 109.291 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 1.9 mt 59.54 39.8 21.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 4.7400000000000002 109.27 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -152.4 122.46 3.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 4.6100000000000003 110.329 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 360' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 361' ' ' GLU . 18.2 Cg_endo -74.98 111.32 3.3 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.775 . . . . 1.3100000000000001 110.921 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 361' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 360' ' ' PRO . 3.6 mm-40 -36.96 126.79 0.78 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.102 . . . . 3.0600000000000001 110.277 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 128.49 11.58 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.431 1.753 . . . . 2.4100000000000001 110.986 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 363' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 62.55 60.49 1.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 4.3899999999999997 109.321 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 364' ' ' TYR . . . . . 0.511 ' N ' ' HD3' ' A' ' 365' ' ' PRO . 1.4 t80 -135.27 58.09 24.3 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 3.4700000000000002 110.967 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 365' ' ' PRO . . . . . 0.511 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.1 Cg_endo -75.01 53.16 3.26 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.502 1.79 . . . . 1.6799999999999999 110.936 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 366' ' ' LYS . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 352' ' ' TYR . 9.3 mmpt? -48.77 133.68 17.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.451 1.094 . . . . 2.2999999999999998 109.325 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 3.7 m -115.39 127.72 55.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 2.4300000000000002 110.071 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 368' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 372' ' ' GLY . 20.7 pt -49.52 -29.81 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 1.6899999999999999 109.306 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 369' ' ' HIS . . . . . 0.45 ' HA ' ' CB ' ' A' ' 373' ' ' PHE . 53.1 t-80 -60.66 -32.22 71.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 3.71 109.597 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 4.4 p -48.46 -22.93 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 3.46 110.036 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 175.52 59.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 6.4900000000000002 110.922 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 372' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 368' ' ' ILE . . . -170.42 -68.01 0.04 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.453 1.096 . . . . 2.7599999999999998 110.985 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 373' ' ' PHE . . . . . 0.485 ' CZ ' ' O ' ' A' ' 377' ' ' VAL . 2.5 t80 -44.42 102.94 0.31 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.436 0.727 . . . . 7.0499999999999998 111.004 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 374' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -62.51 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.521 1.801 . . . . 3.73 111.038 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 2.0 t30 169.66 43.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 7.1200000000000001 109.343 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 376' ' ' PHE . . . . . 0.417 ' O ' ' O ' ' A' ' 377' ' ' VAL . 3.0 t80 -166.18 -54.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 4.9699999999999998 111.01 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 377' ' ' VAL . . . . . 0.485 ' O ' ' CZ ' ' A' ' 373' ' ' PHE . 2.2 p -42.87 164.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 2.0699999999999998 109.216 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.38 -38.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 4.0800000000000001 109.29 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.29 131.11 25.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 1.76 109.289 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 13.8 mt -100.62 146.71 8.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.93999999999999995 109.282 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.1 -46.02 9.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 2.2999999999999998 109.315 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 382' ' ' ALA . . . . . 0.886 ' HB1' HG22 ' A' ' 432' ' ' VAL . . . -156.62 165.04 37.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 1.02 109.261 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -167.1 132.33 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 1.26 109.297 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . 0.463 HG22 ' H ' ' A' ' 385' ' ' PHE . 8.0 p -134.28 168.94 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 2.0800000000000001 109.294 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 385' ' ' PHE . . . . . 0.486 ' CZ ' HD11 ' A' ' 338' ' ' ILE . 22.7 t80 -125.11 136.41 53.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.133 . . . . 1.78 111.002 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 386' ' ' ASN . . . . . 0.434 ' HB3' ' CB ' ' A' ' 389' ' ' PHE . 0.6 OUTLIER -101.47 122.37 48.22 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 2.0800000000000001 109.333 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -33.02 4.92 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.468 1.773 . . . . 2.1800000000000002 111.058 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.06 26.08 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 3.6299999999999999 110.26 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 389' ' ' PHE . . . . . 0.593 ' C ' ' CG ' ' A' ' 390' ' ' TYR . 2.2 t80 -151.87 -37.01 0.12 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.396 1.06 . . . . 4.1399999999999997 111.027 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 390' ' ' TYR . . . . . 0.593 ' CG ' ' C ' ' A' ' 389' ' ' PHE . 2.0 m-85 73.51 46.11 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 2.3599999999999999 110.956 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 391' ' ' ARG . . . . . 0.453 ' NH1' ' OD2' ' A' ' 404' ' ' ASP . 22.2 mtt-85 -148.52 156.29 42.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 4.7800000000000002 110.372 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 392' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' A' ' 384' ' ' VAL . 20.4 m -117.27 122.44 43.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 1.1699999999999999 110.446 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -78.79 153.07 31.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 2.3399999999999999 111.01 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -128.03 110.29 12.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 2.8300000000000001 110.945 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 395' ' ' PHE . . . . . 0.725 ' CE2' HG21 ' A' ' 432' ' ' VAL . 61.0 m-85 -97.48 116.09 29.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 1.04 110.972 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 95.7 t -135.55 124.04 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 2.0499999999999998 109.313 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 1.5 t0 47.18 -149.95 0.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 4.9699999999999998 109.274 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . 0.487 ' O ' ' CD1' ' A' ' 417' ' ' LEU . 4.8 m120 -84.01 50.01 1.75 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.519 1.137 . . . . 4.1900000000000004 109.321 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -144.52 155.44 43.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 3.6899999999999999 110.244 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -121.7 119.33 31.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 2.2000000000000002 110.949 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -115.38 166.7 11.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 5.8200000000000003 108.034 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -155.35 129.1 8.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.406 1.066 . . . . 3.02 110.377 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -108.18 148.95 29.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 4.6399999999999997 111.015 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 404' ' ' ASP . . . . . 0.453 ' OD2' ' NH1' ' A' ' 391' ' ' ARG . 0.2 OUTLIER -95.45 129.23 42.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.148 . . . . 2.52 109.323 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -89.75 -48.35 7.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 3.1099999999999999 110.317 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -62.55 -67.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 7.1600000000000001 110.272 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -59.7 -41.71 91.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 2.7200000000000002 110.279 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 74.09 46.77 0.17 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.15 . . . . 4.3899999999999997 110.353 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 11.0 tpt -143.98 102.81 3.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.138 . . . . 3.1000000000000001 110.999 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.83 127.01 19.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 2.5299999999999998 111.046 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 12.4 p30 -48.15 135.78 11.76 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 5.0700000000000003 109.255 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 108.23 2.67 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 2.3100000000000001 110.994 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 50.14 101.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.548 1.155 . . . . 2.0800000000000001 111.005 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 414' ' ' TYR . . . . . 0.544 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 2.6 t80 -137.39 63.02 40.12 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.428 0.722 . . . . 1.98 110.982 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 415' ' ' PRO . . . . . 0.417 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.5 Cg_endo -74.94 69.01 5.61 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.515 1.797 . . . . 1.72 111.012 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . 0.544 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 2.1 mmtm -87.94 -171.2 3.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 3.79 109.286 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 417' ' ' LEU . . . . . 0.487 ' CD1' ' O ' ' A' ' 398' ' ' ASN . 9.7 tp -130.79 142.99 50.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 2.3399999999999999 109.347 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 418' ' ' ILE . . . . . 0.857 HG22 HD11 ' A' ' 425' ' ' ILE . 1.5 mp -70.25 -72.59 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.585 1.178 . . . . 1.05 109.297 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 419' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 418' ' ' ILE . 0.2 OUTLIER -33.53 -44.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 1.28 110.449 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -58.35 -67.57 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 1.6000000000000001 109.27 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -41.95 -50.84 4.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 2.1299999999999999 109.271 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 422' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -130.1 106.72 8.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 2.7000000000000002 111.053 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -84.57 109.23 17.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 1.8400000000000001 110.257 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 146.92 -28.51 1.57 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.546 1.153 . . . . 1.3100000000000001 110.964 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 425' ' ' ILE . . . . . 0.857 HD11 HG22 ' A' ' 418' ' ' ILE . 51.0 pt -81.85 -42.75 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 2.21 109.338 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 426' ' ' GLY . . . . . 0.41 ' N ' HG13 ' A' ' 425' ' ' ILE . . . 120.95 170.98 14.21 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.573 1.171 . . . . 1.02 110.932 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . 0.442 ' O ' ' CD1' ' A' ' 418' ' ' ILE . 18.5 Cg_endo -74.94 -30.21 7.52 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.472 1.775 . . . . 1.4199999999999999 111.021 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.34 146.82 38.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 2.6099999999999999 109.322 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 429' ' ' ILE . . . . . 0.436 HD13 ' HD2' ' A' ' 442' ' ' PHE . 11.1 tp -132.21 157.69 43.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 1.6899999999999999 109.321 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.63 -69.44 0.86 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 2.1600000000000001 109.252 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 431' ' ' ALA . . . . . 0.537 ' O ' HG13 ' A' ' 432' ' ' VAL . . . -131.02 158.03 41.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.76000000000000001 109.297 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.886 HG22 ' HB1' ' A' ' 382' ' ' ALA . 27.0 m -157.34 137.09 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.567 1.167 . . . . 2.9100000000000001 109.268 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -153.64 172.92 16.48 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.447 1.092 . . . . 2.9199999999999999 110.955 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -121.72 100.21 6.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 3.7200000000000002 111.014 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 435' ' ' SER . . . . . 0.648 ' HA ' HG21 ' A' ' 293' ' ' THR . 0.4 OUTLIER -112.68 -27.8 8.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 2.48 110.032 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 436' ' ' LYS . . . . . 0.431 ' HG2' ' CE2' ' A' ' 441' ' ' TYR . 7.9 mmtt -66.6 -169.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 3.77 109.328 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -89.45 -45.36 9.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 3.8799999999999999 109.266 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 438' ' ' LYS . . . . . 0.59 ' O ' ' CD1' ' A' ' 439' ' ' TYR . 0.0 OUTLIER -153.61 63.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 4.1500000000000004 109.27 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 439' ' ' TYR . . . . . 0.59 ' CD1' ' O ' ' A' ' 438' ' ' LYS . 18.8 m-85 -148.64 -179.65 7.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 2.7999999999999998 111.006 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -134.14 123.98 25.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 3.3900000000000001 111.025 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 441' ' ' TYR . . . . . 0.577 ' CE1' ' HG3' ' A' ' 450' ' ' GLU . 4.2 m-85 -97.21 124.7 41.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 2.8799999999999999 110.967 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . 0.492 ' CE2' HD12 ' A' ' 425' ' ' ILE . 7.2 m-85 -129.56 142.07 50.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 3.52 111.029 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 443' ' ' PHE . . . . . 0.551 ' C ' ' CD1' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -148.82 145.25 27.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 4.9800000000000004 110.945 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -157.22 92.29 1.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 5.3600000000000003 110.3 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 119.85 -83.04 0.35 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 1.76 110.98 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 4.9 p -162.08 41.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 1.8100000000000001 110.066 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -141.21 136.86 32.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 2.3300000000000001 109.323 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 448' ' ' GLN . . . . . 0.518 ' CB ' HD21 ' A' ' 462' ' ' LEU . 1.2 mt-30 -113.88 96.68 5.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 2.8500000000000001 110.338 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 449' ' ' PHE . . . . . 0.854 ' CE1' HG22 ' A' ' 461' ' ' THR . 76.8 m-85 -99.64 148.47 24.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 2.96 111.036 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 0.577 ' HG3' ' CE1' ' A' ' 441' ' ' TYR . 0.3 OUTLIER -127.44 126.96 43.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 3.5499999999999998 110.274 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 451' ' ' TYR . . . . . 0.404 ' O ' ' OE1' ' A' ' 450' ' ' GLU . 0.5 OUTLIER -89.3 164.22 15.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 2.8500000000000001 111.001 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -141.98 106.85 4.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 3.5099999999999998 109.315 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -57.91 -20.1 34.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 3.3500000000000001 110.973 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 18.6 tp -42.23 -38.36 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 2.6499999999999999 109.308 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.596 HD23 ' N ' ' A' ' 455' ' ' LEU . 1.5 pt? -170.71 33.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 2.7999999999999998 109.24 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 49.39 56.03 8.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 3.0600000000000001 110.281 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.92 129.62 52.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.15 . . . . 5.6799999999999997 110.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 90.6 mt -98.19 102.47 13.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 1.95 109.272 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 19.7 p -107.53 51.3 0.75 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 3.1899999999999999 110.46 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.5 114.34 2.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 4.1699999999999999 109.292 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 461' ' ' THR . . . . . 0.854 HG22 ' CE1' ' A' ' 449' ' ' PHE . 21.8 p -142.74 71.96 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 2.52 110.437 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 462' ' ' LEU . . . . . 0.518 HD21 ' CB ' ' A' ' 448' ' ' GLN . 1.7 pt? -106.88 162.97 13.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 2.1200000000000001 109.265 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.45 149.8 21.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 2.5600000000000001 109.321 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 47.4 t -41.1 -49.42 3.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 1.54 109.954 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 50.4 m-20 -88.16 62.88 6.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 3.1499999999999999 109.274 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . 0.515 ' OG ' HD12 ' A' ' 462' ' ' LEU . 2.6 t -113.29 -13.04 12.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 2.5099999999999998 109.981 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -104.23 -49.07 3.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 4.1900000000000004 108.059 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 468' ' ' PHE . . . . . 0.681 ' CE2' HD22 ' A' ' 281' ' ' LEU . 8.8 t80 -48.53 -53.15 19.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 7.3200000000000003 110.96 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 110.54 71.68 0.66 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.559 1.162 . . . . 2.2599999999999998 110.943 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 470' ' ' CYS . . . . . 1.06 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 N-CA-C 108.305 -0.998 . . . . 3.3399999999999999 108.305 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 281' ' ' LEU . . . . . 0.83 HD22 ' HB3' ' A' ' 468' ' ' PHE . 12.2 mt . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.286 -0.635 . . . . 2.9199999999999999 109.286 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 282' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.94 -60.21 1.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 3.3999999999999999 108.265 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -60.18 138.03 91.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 3.5899999999999999 109.371 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 85.03 1.58 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.474 1.776 . . . . 2.6000000000000001 110.979 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 285' ' ' ASN . . . . . 0.429 HD22 ' N ' ' A' ' 285' ' ' ASN . 0.4 OUTLIER -164.71 34.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 3.8199999999999998 109.276 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 4.0 tp -103.93 140.22 38.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 3.0099999999999998 109.295 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 38.5 p -146.18 164.93 30.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 1.4199999999999999 109.974 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -129.17 176.63 7.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.75 111.011 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -118.3 -54.12 2.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 2.1699999999999999 109.235 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 290' ' ' ALA . . . . . 0.889 ' HB2' ' O ' ' A' ' 333' ' ' GLU . . . -153.34 155.11 35.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 1.1100000000000001 109.362 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 291' ' ' VAL . . . . . 1.005 HG21 ' CZ ' ' A' ' 442' ' ' PHE . 13.7 m -147.12 160.49 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 2.1699999999999999 109.274 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . 0.51 ' HB ' ' HB1' ' A' ' 335' ' ' ALA . 4.7 t -153.3 133.86 13.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 1.72 110.361 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -102.18 141.89 34.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.561 1.163 . . . . 2.1299999999999999 110.424 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 294' ' ' VAL . . . . . 0.67 HG22 ' OE1' ' A' ' 337' ' ' GLU . 53.0 t -141.34 83.71 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 2.1299999999999999 109.26 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 98.06 -114.71 5.08 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.454 1.096 . . . . 1.5700000000000001 111.057 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -116.53 14.5 15.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 0.745 . . . . 3.4199999999999999 109.366 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -117.43 147.94 42.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 3.5600000000000001 109.318 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 298' ' ' ILE . . . . . 0.881 ' H ' HG11 ' A' ' 310' ' ' VAL . 6.4 mm -117.18 158.9 17.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 3.9900000000000002 109.281 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -133.08 124.24 27.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 2.6699999999999999 111.032 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 300' ' ' PHE . . . . . 0.729 ' HA ' HG12 ' A' ' 291' ' ' VAL . 84.0 m-85 -114.34 126.67 55.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 2.5899999999999999 111.024 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -113.64 150.51 33.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 2.0899999999999999 110.995 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 302' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 305' ' ' PHE . 0.0 OUTLIER -149.08 87.63 1.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 2.9700000000000002 109.343 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 66.9 -78.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 2.7200000000000002 109.32 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.44 -36.34 2.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.4 1.063 . . . . 5.1500000000000004 110.328 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 305' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 302' ' ' LYS . 46.2 m-85 -86.08 144.67 27.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 3.0899999999999999 110.986 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 306' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -123.42 135.3 54.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 1.7 111.003 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 307' ' ' TRP . . . . . 0.51 ' CZ3' ' N ' ' A' ' 318' ' ' VAL . 1.3 m95 -87.84 169.7 11.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 5.9100000000000001 108.074 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 308' ' ' LEU . 0.2 OUTLIER -155.27 116.6 3.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 1.97 109.344 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 309' ' ' LYS . . . . . 0.506 ' HD3' HG22 ' A' ' 316' ' ' THR . 8.8 tptp -151.1 95.25 2.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.428 1.08 . . . . 2.21 109.314 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 310' ' ' VAL . . . . . 0.881 HG11 ' H ' ' A' ' 298' ' ' ILE . 7.1 p -175.46 168.92 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 2.0699999999999998 109.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 311' ' ' SER . . . . . 0.545 ' N ' HG22 ' A' ' 310' ' ' VAL . 34.2 t 45.05 90.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 3.9300000000000002 109.985 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 312' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 311' ' ' SER . 8.3 pt-20 35.74 73.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 4.5700000000000003 110.32 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.72 103.3 53.88 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 4.1799999999999997 110.263 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -26.44 11.09 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.463 1.77 . . . . 1.96 111.006 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -150.03 146.14 26.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 4.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . 0.506 HG22 ' HD3' ' A' ' 309' ' ' LYS . 10.7 p -83.69 158.37 21.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 1.1699999999999999 110.407 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.98 116.23 18.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.457 1.098 . . . . 1.9399999999999999 110.01 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 318' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 318' ' ' VAL . 7.9 p -98.67 100.14 9.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 3.1000000000000001 109.244 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -122.62 175.97 6.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 2.6299999999999999 109.305 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.49 160.72 20.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.085 . . . . 1.78 109.355 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 321' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 322' ' ' SER . 8.3 mt -70.2 -60.82 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 1.23 109.317 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 322' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 325' ' ' TRP . 4.3 m -38.04 -47.03 1.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 1.72 110.049 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 17.5 m -39.79 -38.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 1.53 110.028 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.21 -85.6 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 2.8300000000000001 109.25 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 325' ' ' TRP . . . . . 0.615 ' HB3' HD23 ' A' ' 328' ' ' LEU . 0.1 OUTLIER -58.72 151.09 54.74 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 2.1800000000000002 107.967 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -66.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 1.03 111.009 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 327' ' ' THR . . . . . 0.647 ' O ' HD22 ' A' ' 328' ' ' LEU . 0.0 OUTLIER -122.72 94.34 4.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 1.6299999999999999 110.356 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 328' ' ' LEU . . . . . 0.647 HD22 ' O ' ' A' ' 327' ' ' THR . 1.8 mm? -124.74 153.63 70.32 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 1.4299999999999999 109.317 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 133.57 16.76 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.553 1.817 . . . . 2.1000000000000001 111.038 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 2.0 m -84.55 130.78 34.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 2.2799999999999998 109.962 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 85.33 51.0 3.85 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.108 . . . . 1.3100000000000001 110.936 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.747 HG21 HD12 ' A' ' 346' ' ' LEU . 3.5 mp -53.78 140.03 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 1.8700000000000001 109.356 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 333' ' ' GLU . . . . . 0.889 ' O ' ' HB2' ' A' ' 290' ' ' ALA . 10.4 mm-40 -104.13 -53.39 2.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.55 1.156 . . . . 2.8500000000000001 110.345 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 334' ' ' ALA . . . . . 1.009 ' HB1' ' HB2' ' A' ' 383' ' ' ALA . . . -127.78 110.77 12.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 1.3200000000000001 109.339 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . 0.51 ' HB1' ' HB ' ' A' ' 292' ' ' THR . . . -109.59 115.13 29.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 1.1100000000000001 109.296 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 336' ' ' TYR . . . . . 0.508 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 13.2 p90 -148.75 125.14 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 3.5600000000000001 110.96 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 337' ' ' GLU . . . . . 0.67 ' OE1' HG22 ' A' ' 294' ' ' VAL . 0.9 OUTLIER -94.75 160.38 14.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 3.7599999999999998 110.285 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 338' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 338' ' ' ILE . 4.0 mp -99.97 85.08 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 4.8399999999999999 109.304 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.65 76.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 3.52 110.311 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 340' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 338' ' ' ILE . . . -158.9 -53.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 1.95 109.284 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -108.73 14.16 24.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 3.75 110.273 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 3.3 t30 58.91 63.22 1.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 2.1099999999999999 109.292 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -126.77 179.95 5.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 4.0700000000000003 110.286 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 344' ' ' VAL . . . . . . . . . . . . . 3.8 t -141.27 153.46 20.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 1.6100000000000001 109.259 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 345' ' ' PHE . . . . . 0.606 ' C ' HD22 ' A' ' 346' ' ' LEU . 0.2 OUTLIER -147.75 137.16 22.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 3.0699999999999998 110.99 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.747 HD12 HG21 ' A' ' 332' ' ' ILE . 3.5 mm? -131.44 159.91 36.69 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.442 1.089 . . . . 1.74 109.324 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -136.44 146.16 46.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 2.98 111.043 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 348' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.3 OUTLIER -167.95 130.2 1.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 3.0499999999999998 109.246 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.8 t70 54.32 -150.31 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 3.1800000000000002 109.287 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 350' ' ' ASP . . . . . 0.499 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 7.1 t0 -88.25 41.62 1.02 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 3.6000000000000001 109.25 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 19.3 mttp -155.91 155.43 32.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 2.2999999999999998 109.336 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 352' ' ' TYR . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 366' ' ' LYS . 26.3 p90 -138.93 136.08 35.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 2.8799999999999999 111.016 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -102.4 170.58 7.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 4.0599999999999996 107.988 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 354' ' ' LEU . . . . . 0.691 ' C ' HD12 ' A' ' 355' ' ' ILE . 0.0 OUTLIER -148.23 137.73 22.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 4.0099999999999998 109.285 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.691 HD12 ' C ' ' A' ' 354' ' ' LEU . 1.7 mp -112.59 125.68 69.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 1.3200000000000001 109.29 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 356' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 358' ' ' LEU . 0.5 OUTLIER -94.43 92.94 7.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 1.8899999999999999 110.003 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 357' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 356' ' ' SER . 0.7 OUTLIER 70.29 -58.14 0.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 4.04 109.317 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 358' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 356' ' ' SER . 4.0 tp -147.87 -52.53 0.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 3.71 109.264 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -89.35 121.35 69.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 4.7199999999999998 110.297 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 360' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -162.03 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.473 1.775 . . . . 2.21 110.969 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 361' ' ' GLU . . . . . 0.425 ' HG3' HD11 ' A' ' 354' ' ' LEU . 3.4 mm-40 -86.89 157.45 54.55 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 2.8300000000000001 110.254 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 362' ' ' PRO . . . . . 0.463 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.5 Cg_endo -74.99 66.5 6.01 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.436 1.756 . . . . 2.2400000000000002 110.965 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 363' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 0.7 OUTLIER 79.9 104.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 4.5599999999999996 109.28 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 364' ' ' TYR . . . . . 0.546 ' CD2' ' HD2' ' A' ' 366' ' ' LYS . 0.4 OUTLIER -127.0 65.58 64.44 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 3.2200000000000002 111.001 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 365' ' ' PRO . . . . . 0.44 ' HD3' ' C ' ' A' ' 363' ' ' ASN . 18.3 Cg_endo -75.0 55.62 4.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.504 1.792 . . . . 1.26 110.999 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 366' ' ' LYS . . . . . 0.546 ' HD2' ' CD2' ' A' ' 364' ' ' TYR . 0.0 OUTLIER -76.95 171.98 13.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 2.0699999999999998 109.269 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 42.5 m -136.44 131.13 33.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 2.0499999999999998 110.034 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 29.6 pt -52.18 -37.54 22.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 1.76 109.358 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -55.96 -18.07 8.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 2.6600000000000001 109.636 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 21.9 m -67.5 -14.59 63.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 2.52 110.026 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 371' ' ' PHE . . . . . 0.557 ' CG ' ' O ' ' A' ' 371' ' ' PHE . 6.1 p90 -167.4 56.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 6.2699999999999996 110.966 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 372' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -163.5 -49.94 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.469 1.105 . . . . 2.8799999999999999 110.983 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 373' ' ' PHE . . . . . 0.436 ' N ' ' HD3' ' A' ' 374' ' ' PRO . 32.7 t80 35.85 62.3 2.67 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.568 0.805 . . . . 6.7599999999999998 111.012 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 374' ' ' PRO . . . . . 0.436 ' HD3' ' N ' ' A' ' 373' ' ' PHE . 18.2 Cg_endo -74.97 -164.89 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.576 1.83 . . . . 2.23 111.006 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -74.6 -50.8 16.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 6.2800000000000002 109.4 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -172.24 78.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 4.7599999999999998 110.959 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 377' ' ' VAL . . . . . . . . . . . . . 83.2 t -104.57 158.71 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 2.6400000000000001 109.32 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -172.79 -41.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.077 . . . . 2.9500000000000002 109.26 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -127.52 122.89 34.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 1.6200000000000001 109.335 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 380' ' ' ILE . . . . . 0.575 HG22 ' H ' ' A' ' 381' ' ' ASP . 5.3 mm -92.01 172.23 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 2.1899999999999999 109.288 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 381' ' ' ASP . . . . . 0.575 ' H ' HG22 ' A' ' 380' ' ' ILE . 25.4 m-20 -113.81 -47.31 2.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 2.3300000000000001 109.288 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 382' ' ' ALA . . . . . 0.54 ' CB ' HG12 ' A' ' 432' ' ' VAL . . . -159.85 170.47 21.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 1.0900000000000001 109.296 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 383' ' ' ALA . . . . . 1.009 ' HB2' ' HB1' ' A' ' 334' ' ' ALA . . . -149.57 117.72 6.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 1.1899999999999999 109.273 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . 0.4 HG13 ' CD1' ' A' ' 434' ' ' TYR . 4.3 t -128.7 139.86 50.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 2.1600000000000001 109.297 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 385' ' ' PHE . . . . . 0.494 ' HD1' ' HH ' ' A' ' 434' ' ' TYR . 13.9 t80 -103.22 139.58 38.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 1.96 110.98 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -113.34 117.25 45.58 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.077 . . . . 2.71 109.296 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -15.02 20.95 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.499 1.789 . . . . 1.75 110.999 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.7 -48.14 17.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 2.2599999999999998 110.283 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -91.77 -5.87 52.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 2.6099999999999999 110.999 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 57.0 29.74 16.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 2.5499999999999998 110.979 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 2.0 mtm-85 -129.92 178.75 6.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 3.7599999999999998 110.309 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 37.5 m -126.69 128.64 47.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.71999999999999997 110.379 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . 0.486 ' CE2' ' OH ' ' A' ' 400' ' ' TYR . 8.7 m-85 -85.28 125.32 32.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 1.6799999999999999 110.985 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -107.47 107.48 18.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 2.3100000000000001 111.047 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -85.39 108.36 17.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 1.8300000000000001 111.005 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 396' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 396' ' ' VAL . 21.7 m -129.38 120.2 50.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 3.0800000000000001 109.329 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 52.9 -149.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 3.27 109.305 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . 0.45 ' O ' ' CD1' ' A' ' 417' ' ' LEU . 2.3 m120 -89.87 49.65 1.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.179 . . . . 4.7300000000000004 109.256 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 399' ' ' GLN . . . . . 0.465 ' O ' HD11 ' A' ' 418' ' ' ILE . 16.0 mm100 -146.98 165.82 28.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 4.4500000000000002 110.273 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 400' ' ' TYR . . . . . 0.486 ' OH ' ' CE2' ' A' ' 393' ' ' TYR . 1.6 t80 -121.46 125.56 47.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 2.7400000000000002 110.997 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -119.57 160.76 21.83 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.981 -1.118 . . . . 5.6100000000000003 107.981 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -153.77 117.78 4.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 3.3300000000000001 110.282 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -109.54 126.58 53.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 5.0499999999999998 111.103 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.28 121.98 16.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 1.8899999999999999 109.284 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -91.84 -42.49 10.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 3.0499999999999998 110.343 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.29 -53.6 34.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 5.5099999999999998 110.281 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.38 -39.75 62.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 2.6600000000000001 110.258 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 74.14 54.28 0.1 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 2.9399999999999999 110.294 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -150.36 96.92 2.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.539 1.15 . . . . 2.6000000000000001 110.995 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.69 125.87 18.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 3.5699999999999998 110.991 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.54 143.99 45.58 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 2.5600000000000001 109.253 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 412' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 413' ' ' GLY . 18.5 Cg_endo -74.98 105.16 2.03 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.774 . . . . 2.2799999999999998 111.04 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 413' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 412' ' ' PRO . . . 51.03 103.25 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 1.8700000000000001 110.995 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 414' ' ' TYR . . . . . 0.531 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 1.9 t80 -137.51 62.9 38.75 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.764 . . . . 1.8300000000000001 111.03 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 415' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.2 Cg_endo -75.01 72.22 4.74 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.45 1.763 . . . . 1.74 111.011 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . 0.531 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 6.5 mmtt -85.13 -175.04 5.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 2.5699999999999998 109.253 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 417' ' ' LEU . . . . . 0.45 ' CD1' ' O ' ' A' ' 398' ' ' ASN . 22.4 tp -132.67 137.58 47.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 2.96 109.289 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 418' ' ' ILE . . . . . 0.465 HD11 ' O ' ' A' ' 399' ' ' GLN . 0.6 OUTLIER -70.27 -38.53 74.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 1.3300000000000001 109.357 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.55 -40.6 95.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 2.25 110.363 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 421' ' ' ASN . 60.4 mttt -63.44 -75.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 1.5700000000000001 109.309 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . 0.652 ' ND2' ' CZ ' ' A' ' 422' ' ' PHE . 32.4 t-20 -39.86 -56.98 1.67 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 2.4399999999999999 109.337 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 422' ' ' PHE . . . . . 0.652 ' CZ ' ' ND2' ' A' ' 421' ' ' ASN . 11.7 m-85 -106.18 89.59 3.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 3.8199999999999998 111.04 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -73.08 140.0 46.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 2.46 110.373 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 92.91 -20.06 47.88 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.543 1.152 . . . . 1.6200000000000001 110.999 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 425' ' ' ILE . . . . . 0.539 HD11 ' CD1' ' A' ' 451' ' ' TYR . 5.5 mm -68.65 -81.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 3.75 109.315 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 161.25 165.11 17.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 1.0900000000000001 111.016 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.11 18.96 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.567 1.825 . . . . 1.8899999999999999 111.061 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.42 145.42 26.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 4.2599999999999998 109.294 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 429' ' ' ILE . . . . . 0.89 HD11 ' OH ' ' A' ' 440' ' ' TYR . 0.2 OUTLIER -125.21 121.88 61.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 3.0499999999999998 109.309 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -57.93 -35.84 71.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 2.3500000000000001 109.359 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 431' ' ' ALA . . . . . 0.587 ' HB3' ' HE2' ' A' ' 442' ' ' PHE . . . -170.27 157.12 6.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.584 1.178 . . . . 1.23 109.283 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.54 HG12 ' CB ' ' A' ' 382' ' ' ALA . 6.5 p -161.21 152.51 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 2.1899999999999999 109.291 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 433' ' ' PHE . . . . . 0.558 ' O ' ' CD1' ' A' ' 433' ' ' PHE . 0.0 OUTLIER -152.47 152.9 32.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 3.9900000000000002 110.952 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 434' ' ' TYR . . . . . 0.559 ' CG ' ' O ' ' A' ' 434' ' ' TYR . 5.8 p90 -126.45 124.01 39.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 7.0199999999999996 110.936 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 435' ' ' SER . . . . . 0.44 ' HB3' ' CE2' ' A' ' 433' ' ' PHE . 24.1 p -120.26 12.96 11.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 3.71 109.985 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 436' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.34 -170.84 2.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 6.8499999999999996 109.329 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -63.72 -73.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 9.3800000000000008 109.299 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 438' ' ' LYS . . . . . 0.499 ' O ' ' CG ' ' A' ' 438' ' ' LYS . 2.7 tttt -132.89 61.1 1.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 7.4500000000000002 109.343 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -130.16 136.09 48.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 3.4399999999999999 111.006 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 440' ' ' TYR . . . . . 0.89 ' OH ' HD11 ' A' ' 429' ' ' ILE . 0.1 OUTLIER -127.17 131.01 50.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 11.58 110.999 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 441' ' ' TYR . . . . . 0.591 ' N ' ' CD1' ' A' ' 441' ' ' TYR . 0.0 OUTLIER -157.23 101.09 1.88 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.584 1.177 . . . . 5.96 111.029 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . 1.005 ' CZ ' HG21 ' A' ' 291' ' ' VAL . 4.3 t80 -155.6 175.82 13.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 10.66 110.937 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 443' ' ' PHE . . . . . 0.631 ' CE1' ' CG ' ' A' ' 448' ' ' GLN . 46.9 m-85 -78.28 151.52 32.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 5.4400000000000004 110.955 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 444' ' ' GLN . . . . . 0.415 ' O ' ' CD ' ' A' ' 444' ' ' GLN . 8.2 tm0? -138.36 72.24 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 4.0300000000000002 110.254 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 445' ' ' GLY . . . . . 0.401 ' O ' ' CB ' ' A' ' 446' ' ' SER . . . 97.81 -38.71 2.99 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.436 1.085 . . . . 2.1699999999999999 111.004 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 446' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 445' ' ' GLY . 0.4 OUTLIER 165.75 41.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 2.0899999999999999 109.969 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 447' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 443' ' ' PHE . 0.1 OUTLIER -154.71 120.09 5.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 2.25 109.282 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 448' ' ' GLN . . . . . 0.631 ' CG ' ' CE1' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -100.77 112.08 24.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 3.8999999999999999 110.323 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 449' ' ' PHE . . . . . 0.515 ' N ' ' CD1' ' A' ' 449' ' ' PHE . 1.7 p90 -139.87 163.43 32.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 4.2000000000000002 110.974 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 0.431 ' O ' HG23 ' A' ' 458' ' ' ILE . 0.5 OUTLIER -111.29 147.41 35.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 4.0800000000000001 110.347 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 451' ' ' TYR . . . . . 0.539 ' CD1' HD11 ' A' ' 425' ' ' ILE . 85.4 t80 -133.85 100.09 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.08 . . . . 2.9100000000000001 110.994 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -89.18 111.04 21.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 3.3799999999999999 109.283 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -57.87 -15.81 9.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 4.0199999999999996 111.024 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 12.2 tp -45.3 -26.82 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 2.5099999999999998 109.302 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 456' ' ' GLN . 2.3 pt? -174.35 33.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.383 1.052 . . . . 1.8899999999999999 109.292 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 456' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 455' ' ' LEU . 15.5 pt20 35.93 63.98 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 4.2999999999999998 110.335 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -122.29 136.65 54.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 3.0699999999999998 110.3 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 458' ' ' ILE . . . . . 0.431 HG23 ' O ' ' A' ' 450' ' ' GLU . 14.0 mt -108.46 93.78 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 1.53 109.343 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 2.7 t -102.87 38.91 1.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 3.1000000000000001 110.437 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -159.95 124.83 3.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 2.96 109.313 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 1.1 p -138.83 73.7 1.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 2.8599999999999999 110.462 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 462' ' ' LEU . . . . . 0.883 HD11 ' CB ' ' A' ' 466' ' ' SER . 27.0 tp -99.23 161.38 13.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 3.6600000000000001 109.316 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 463' ' ' LYS . . . . . 0.463 ' N ' ' HG ' ' A' ' 462' ' ' LEU . 4.2 mmpp? -78.0 176.87 8.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 2.9100000000000001 109.26 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 464' ' ' SER . . . . . 0.613 ' HA ' ' CD1' ' A' ' 443' ' ' PHE . 7.5 t -73.2 -44.82 59.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 2.3199999999999998 110.032 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -121.01 79.13 1.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 2.9700000000000002 109.288 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . 0.883 ' CB ' HD11 ' A' ' 462' ' ' LEU . 0.4 OUTLIER -114.67 5.79 15.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 4.2000000000000002 109.956 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -132.46 -49.97 0.92 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.055 -1.091 . . . . 6.1200000000000001 108.055 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 468' ' ' PHE . . . . . 0.83 ' HB3' HD22 ' A' ' 281' ' ' LEU . 16.4 m-85 -47.4 -63.96 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 7.2800000000000002 111.017 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -112.44 -64.84 0.48 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.494 1.121 . . . . 4.3700000000000001 111.045 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 60.5 m . . . . . 0 C--N 1.326 -0.449 0 N-CA-C 108.257 -1.016 . . . . 3.6899999999999999 108.257 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 281' ' ' LEU . . . . . 0.5 ' HB3' ' CE2' ' A' ' 468' ' ' PHE . 24.9 mt . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.261 -0.644 . . . . 3.0699999999999998 109.261 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 282' ' ' CYS . . . . . 1.081 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 42.1 t -178.44 -51.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 3.2400000000000002 108.286 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.21 149.89 40.76 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 3.73 109.258 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 97.72 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.469 1.773 . . . . 2.04 111.008 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -156.8 30.64 0.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 3.3999999999999999 109.257 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 286' ' ' LEU . . . . . 0.956 HD11 ' CZ2' ' A' ' 307' ' ' TRP . 27.5 tp -110.92 157.85 19.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 2.5800000000000001 109.256 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 79.1 p -144.87 162.83 35.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 1.3700000000000001 110.04 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -129.64 171.75 12.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 2.46 111.052 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -122.2 -43.17 2.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 3.6099999999999999 109.305 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 290' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 333' ' ' GLU . . . -155.15 131.16 10.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.88 109.319 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 291' ' ' VAL . . . . . 0.901 HG21 ' CE2' ' A' ' 300' ' ' PHE . 6.8 p -135.95 145.43 31.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 2.7400000000000002 109.288 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 9.3 t -153.52 154.15 33.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 1.5800000000000001 110.371 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 293' ' ' THR . . . . . 0.585 HG21 ' CB ' ' A' ' 435' ' ' SER . 11.1 t -106.5 146.41 30.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 2.5699999999999998 110.358 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 294' ' ' VAL . . . . . 0.496 ' O ' HG23 ' A' ' 294' ' ' VAL . 31.5 m -132.42 76.48 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 2.7799999999999998 109.316 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 95.52 -90.75 1.27 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.541 1.15 . . . . 1.6200000000000001 111.031 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 296' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 296' ' ' ASN . 2.0 p-10 -134.23 16.42 3.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.78 . . . . 4.1699999999999999 109.236 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.575 ' HA ' HG11 ' A' ' 310' ' ' VAL . 0.2 OUTLIER -124.08 152.52 42.61 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.499 1.125 . . . . 2.3900000000000001 109.323 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 298' ' ' ILE . . . . . 0.409 HG21 ' CE1' ' A' ' 300' ' ' PHE . 9.8 mt -115.45 140.48 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 2.3500000000000001 109.292 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -129.54 93.21 3.49 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.535 1.147 . . . . 2.8199999999999998 110.976 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 300' ' ' PHE . . . . . 0.901 ' CE2' HG21 ' A' ' 291' ' ' VAL . 78.1 m-85 -82.58 120.41 25.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 3.2599999999999998 111.004 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -104.81 155.97 18.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 2.6699999999999999 110.999 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -160.24 -50.3 0.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 4.2800000000000002 109.282 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 303' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 305' ' ' PHE . 1.5 t0 172.42 100.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 4.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 304' ' ' ARG . . . . . 0.465 ' HB2' ' O ' ' A' ' 303' ' ' ASP . 0.0 OUTLIER 67.37 -58.61 0.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 5.3499999999999996 110.306 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 305' ' ' PHE . . . . . 0.48 ' N ' ' O ' ' A' ' 303' ' ' ASP . 19.3 m-85 -88.29 126.08 35.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 2.8500000000000001 111.051 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 306' ' ' PHE . . . . . 0.43 ' CB ' ' O ' ' A' ' 300' ' ' PHE . 6.2 p90 -124.9 136.18 53.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 2.0800000000000001 111.005 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 307' ' ' TRP . . . . . 0.956 ' CZ2' HD11 ' A' ' 286' ' ' LEU . 31.7 m-90 -79.89 136.84 36.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 5.1200000000000001 107.991 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . 0.557 HD21 ' CZ ' ' A' ' 313' ' ' ARG . 4.4 tp -149.47 101.59 3.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 2.2799999999999998 109.321 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 309' ' ' LYS . . . . . 0.738 ' HB2' HG22 ' A' ' 316' ' ' THR . 1.0 OUTLIER -122.62 82.9 2.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 2.6499999999999999 109.286 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 310' ' ' VAL . . . . . 0.694 HG13 ' N ' ' A' ' 311' ' ' SER . 0.6 OUTLIER -151.59 -161.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 2.6600000000000001 109.272 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 311' ' ' SER . . . . . 0.694 ' N ' HG13 ' A' ' 310' ' ' VAL . 0.7 OUTLIER 38.3 -148.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 5.2699999999999996 109.994 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -82.6 67.3 8.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 7.5199999999999996 110.291 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 313' ' ' ARG . . . . . 0.557 ' CZ ' HD21 ' A' ' 308' ' ' LEU . 6.9 mtt180 -137.77 116.3 9.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 4.8499999999999996 110.294 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -25.47 11.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.504 1.791 . . . . 2.3399999999999999 110.995 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.22 170.86 11.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 6.7300000000000004 109.315 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . 0.738 HG22 ' HB2' ' A' ' 309' ' ' LYS . 63.8 p -75.29 146.43 41.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 1.4199999999999999 110.422 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 317' ' ' SER . . . . . 0.505 ' CB ' HD23 ' A' ' 308' ' ' LEU . 0.1 OUTLIER -80.55 151.0 29.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 2.9199999999999999 110.003 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 40.7 t -144.13 79.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.556 1.16 . . . . 2.0699999999999998 109.296 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -124.2 169.9 11.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 2.0699999999999998 109.307 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.89 154.05 18.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 1.6200000000000001 109.317 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 321' ' ' ILE . . . . . 0.411 HG23 ' HB2' ' A' ' 325' ' ' TRP . 1.4 mp -66.91 -64.61 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 1.4199999999999999 109.314 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 19.3 m -46.2 -34.49 4.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 1.76 110.006 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 323' ' ' SER . . . . . 0.728 ' HB3' HD12 ' A' ' 324' ' ' LEU . 0.3 OUTLIER -43.02 -50.37 5.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 1.3100000000000001 110.023 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . 0.728 HD12 ' HB3' ' A' ' 323' ' ' SER . 3.9 mp -108.98 -65.91 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 2.29 109.382 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 325' ' ' TRP . . . . . 0.457 ' HB3' ' CB ' ' A' ' 328' ' ' LEU . 0.0 OUTLIER -42.2 148.86 0.47 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 2.5699999999999998 107.985 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -82.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.428 1.752 . . . . 1.2 110.982 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 327' ' ' THR . . . . . . . . . . . . . 9.2 t -110.48 5.62 21.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 1.99 110.404 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 328' ' ' LEU . . . . . 0.902 HD21 HD11 ' A' ' 355' ' ' ILE . 0.5 OUTLIER -44.01 130.85 4.3 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 1.9299999999999999 109.304 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 329' ' ' PRO . . . . . 0.794 ' HD2' HD13 ' A' ' 328' ' ' LEU . 18.0 Cg_endo -75.13 148.23 34.52 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.407 1.74 . . . . 2.6200000000000001 110.932 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 4.5 m -104.73 155.02 19.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 2.6099999999999999 110.014 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 86.07 32.51 17.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 1.27 110.985 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.718 HD12 ' HB3' ' A' ' 346' ' ' LEU . 51.7 mm -47.41 130.01 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 0.745 . . . . 2.3700000000000001 109.332 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 333' ' ' GLU . . . . . 0.684 ' O ' ' HB2' ' A' ' 290' ' ' ALA . 47.2 mm-40 -85.99 -49.45 7.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.415 1.072 . . . . 2.5 110.334 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -138.61 110.37 7.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.414 1.071 . . . . 1.1299999999999999 109.357 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . 0.511 ' HB2' HG21 ' A' ' 332' ' ' ILE . . . -102.17 126.27 49.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.82999999999999996 109.271 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 336' ' ' TYR . . . . . 0.552 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 15.1 p90 -152.94 122.42 6.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 3.48 110.936 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 337' ' ' GLU . . . . . 0.42 ' CD ' ' N ' ' A' ' 338' ' ' ILE . 0.2 OUTLIER -95.62 -179.74 4.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 4.2400000000000002 110.289 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 338' ' ' ILE . . . . . 0.528 HG23 ' O ' ' A' ' 338' ' ' ILE . 19.0 tt -137.53 101.23 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 3.46 109.243 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -68.17 78.83 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.406 1.066 . . . . 3.1200000000000001 110.34 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -159.99 -53.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 1.8600000000000001 109.32 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -112.41 4.29 17.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 3.54 110.325 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.17 70.84 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 2.75 109.3 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -134.67 179.28 6.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 2.5499999999999998 110.302 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 344' ' ' VAL . . . . . 0.466 ' CG1' HD21 ' A' ' 346' ' ' LEU . 85.6 t -147.89 125.69 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.088 . . . . 1.3300000000000001 109.36 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 345' ' ' PHE . . . . . 0.464 ' CB ' ' CZ ' ' A' ' 336' ' ' TYR . 61.1 m-85 -113.48 86.7 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 3.1600000000000001 110.999 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.718 ' HB3' HD12 ' A' ' 332' ' ' ILE . 13.9 mt -81.59 148.99 28.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 2.29 109.308 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -118.85 144.54 46.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 2.6899999999999999 110.971 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 348' ' ' LYS . . . . . 0.474 ' HD3' ' CB ' ' A' ' 329' ' ' PRO . 1.5 ptmt -161.45 124.04 3.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 4.96 109.308 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 53.76 -150.41 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 3.75 109.297 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 350' ' ' ASP . . . . . 0.477 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 5.5 p-10 -87.95 41.47 1.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 3.3599999999999999 109.225 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.477 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 24.5 mttp -155.77 154.93 32.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 2.48 109.333 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 352' ' ' TYR . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 366' ' ' LYS . 19.7 p90 -137.42 135.63 37.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 2.7999999999999998 111.011 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 353' ' ' TRP . . . . . 0.415 ' CD2' ' HG3' ' A' ' 329' ' ' PRO . 1.2 m-90 -93.64 138.65 31.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 3.8700000000000001 108.02 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 354' ' ' LEU . . . . . 0.66 ' O ' HD23 ' A' ' 354' ' ' LEU . 0.0 OUTLIER -109.15 105.26 14.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 3.0499999999999998 109.299 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.902 HD11 HD21 ' A' ' 328' ' ' LEU . 83.0 mt -83.22 145.93 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 2.0600000000000001 109.296 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 29.3 t -137.68 103.74 5.11 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.513 1.133 . . . . 1.52 109.972 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 357' ' ' ASN . . . . . 0.7 ' O ' HD23 ' A' ' 358' ' ' LEU . 22.5 m-80 61.39 55.42 2.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 3.1400000000000001 109.29 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 358' ' ' LEU . . . . . 0.7 HD23 ' O ' ' A' ' 357' ' ' ASN . 0.3 OUTLIER 57.94 35.04 24.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 2.7999999999999998 109.287 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.31 106.1 7.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.599 1.187 . . . . 3.8500000000000001 110.302 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 360' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 361' ' ' GLU . 18.3 Cg_endo -75.0 109.36 2.91 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.545 1.813 . . . . 1.97 110.975 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 361' ' ' GLU . . . . . 0.53 ' CG ' HD23 ' A' ' 354' ' ' LEU . 35.8 mm-40 -34.24 123.64 0.51 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 2.9100000000000001 110.281 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 124.19 8.49 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.466 1.772 . . . . 2.3599999999999999 111.03 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 363' ' ' ASN . . . . . 0.448 ' C ' ' HD3' ' A' ' 365' ' ' PRO . 18.8 m120 65.44 62.54 0.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 4.5300000000000002 109.255 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 364' ' ' TYR . . . . . 0.58 ' CE2' ' HD3' ' A' ' 366' ' ' LYS . 0.3 OUTLIER -132.64 56.83 24.61 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 2.9700000000000002 110.993 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 365' ' ' PRO . . . . . 0.535 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.5 Cg_endo -74.95 51.39 2.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 1.49 111.004 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 366' ' ' LYS . . . . . 0.58 ' HD3' ' CE2' ' A' ' 364' ' ' TYR . 0.1 OUTLIER -57.45 142.87 42.53 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.524 1.14 . . . . 1.71 109.312 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 90.2 p -118.12 129.49 55.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 1.96 109.968 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 5.7 pt -45.64 -28.05 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 1.5700000000000001 109.263 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 369' ' ' HIS . . . . . 0.629 ' NE2' ' CD1' ' A' ' 373' ' ' PHE . 15.2 m-70 -55.6 -18.86 8.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 5.29 109.65 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 1.6 m -60.97 -25.51 66.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 2.4900000000000002 110.015 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 174.29 61.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 6.5 111.09 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 372' ' ' GLY . . . . . 0.463 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -168.31 -63.89 0.03 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.522 1.139 . . . . 2.8199999999999998 110.987 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 373' ' ' PHE . . . . . 0.629 ' CD1' ' NE2' ' A' ' 369' ' ' HIS . 46.0 t80 -32.59 95.43 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.59 0.818 . . . . 5.2199999999999998 110.979 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 374' ' ' PRO . . . . . 0.619 ' HD2' HG12 ' A' ' 377' ' ' VAL . 18.4 Cg_endo -75.02 -54.97 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 2.4700000000000002 111.025 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 375' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 374' ' ' PRO . 7.2 m-20 160.74 45.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 5.4400000000000004 109.276 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 376' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 377' ' ' VAL . 0.6 OUTLIER -178.99 -48.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 5.7400000000000002 111.003 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 377' ' ' VAL . . . . . 0.619 HG12 ' HD2' ' A' ' 374' ' ' PRO . 3.3 p -40.07 153.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 2.1699999999999999 109.267 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.54 -38.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 3.27 109.325 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.32 126.98 25.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 1.8899999999999999 109.363 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 13.9 mt -98.78 150.64 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.88 109.317 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.55 -44.95 7.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 2.3300000000000001 109.332 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 382' ' ' ALA . . . . . 0.818 ' HB2' ' HA ' ' A' ' 431' ' ' ALA . . . -161.15 161.98 31.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.75 109.323 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -151.46 127.1 10.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.64000000000000001 109.232 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . 0.703 HG13 HG13 ' A' ' 432' ' ' VAL . 22.0 m -136.51 139.18 45.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 2.3599999999999999 109.315 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -90.85 132.39 35.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 4.3700000000000001 110.946 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -109.19 108.65 60.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 2.6099999999999999 109.283 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.7 18.47 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.5 1.79 . . . . 1.97 111.02 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -76.44 -27.67 56.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 2.23 110.351 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -116.31 0.69 12.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 2.52 110.972 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 51.83 21.98 1.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 2.8799999999999999 110.958 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.03 155.83 39.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 3.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 91.6 m -111.89 125.55 54.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.76000000000000001 110.408 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . 0.428 ' N ' ' CD1' ' A' ' 393' ' ' TYR . 9.1 m-30 -78.83 126.98 31.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 1.6299999999999999 111.018 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -111.53 107.17 16.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 2.2400000000000002 110.973 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -89.03 115.49 26.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.39 1.056 . . . . 0.96999999999999997 110.964 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 396' ' ' VAL . . . . . 0.462 HG21 HG23 ' A' ' 377' ' ' VAL . 42.1 t -140.19 126.35 21.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 1.79 109.338 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 1.2 t70 52.3 -152.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 3.4700000000000002 109.323 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -88.08 49.66 1.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 3.5299999999999998 109.291 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -147.39 162.94 37.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 2.7400000000000002 110.365 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -129.43 105.59 8.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 2.3700000000000001 110.991 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 7.4 m-90 -100.49 172.78 6.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 5.4500000000000002 107.965 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 402' ' ' ARG . . . . . 0.412 ' NE ' ' CE1' ' A' ' 393' ' ' TYR . 7.7 ttm180 -154.92 126.38 7.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 3.6899999999999999 110.278 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 403' ' ' TYR . . . . . 0.572 ' CE1' ' O ' ' A' ' 404' ' ' ASP . 62.2 t80 -108.98 151.43 26.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 4.9800000000000004 110.983 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 404' ' ' ASP . . . . . 0.572 ' O ' ' CE1' ' A' ' 403' ' ' TYR . 0.3 OUTLIER -92.58 127.92 38.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 2.04 109.245 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -88.66 -52.86 4.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 3.27 110.295 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -60.83 -50.01 75.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.593 1.183 . . . . 8.1099999999999994 110.224 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.29 -40.32 67.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 2.8399999999999999 110.352 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 74.02 30.62 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 2.8700000000000001 110.328 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 9.5 tpt -134.77 116.43 14.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 2.6099999999999999 110.911 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 44.3 mtm -39.31 142.03 0.3 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 2.4100000000000001 110.965 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.72 141.26 97.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 3.1899999999999999 109.324 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 412' ' ' PRO . . . . . 0.532 ' O ' ' C ' ' A' ' 413' ' ' GLY . 18.2 Cg_endo -75.03 126.27 9.84 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.794 . . . . 3.7799999999999998 110.996 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 413' ' ' GLY . . . . . 0.532 ' C ' ' O ' ' A' ' 412' ' ' PRO . . . 25.87 91.37 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.505 1.128 . . . . 3.04 110.949 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 414' ' ' TYR . . . . . 0.507 ' CE1' ' HG3' ' A' ' 416' ' ' LYS . 1.0 OUTLIER -134.22 60.12 42.01 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 2.1400000000000001 111.016 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 415' ' ' PRO . . . . . 0.482 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -75.01 73.24 4.39 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.435 1.756 . . . . 1.98 111.029 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . 0.507 ' HG3' ' CE1' ' A' ' 414' ' ' TYR . 6.0 mmtt -98.11 173.63 6.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 2.4500000000000002 109.327 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.92 163.07 27.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 2.0800000000000001 109.301 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 418' ' ' ILE . . . . . 0.528 HG22 HD11 ' A' ' 425' ' ' ILE . 2.8 mp -69.04 -77.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 1.05 109.315 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 419' ' ' THR . . . . . 0.428 ' HB ' ' N ' ' A' ' 427' ' ' PRO . 7.5 t -40.03 -37.9 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 1.0800000000000001 110.388 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -62.78 -50.12 72.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 1.6599999999999999 109.292 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . 0.455 ' OD1' ' CE2' ' A' ' 422' ' ' PHE . 10.3 t-20 -58.39 -46.52 86.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.095 . . . . 2.3599999999999999 109.308 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 422' ' ' PHE . . . . . 0.49 ' O ' ' CD1' ' A' ' 425' ' ' ILE . 39.0 m-85 -148.06 126.02 12.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.384 1.053 . . . . 3.3799999999999999 110.982 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -92.23 119.58 31.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 2.3500000000000001 110.275 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . 0.658 ' HA3' HD11 ' A' ' 458' ' ' ILE . . . 150.2 -28.31 1.11 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.141 . . . . 1.52 111.001 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 425' ' ' ILE . . . . . 0.816 HG21 ' CD2' ' A' ' 442' ' ' PHE . 0.2 OUTLIER -96.15 -19.63 6.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 2.1299999999999999 109.254 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 91.4 170.59 42.4 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.5 1.125 . . . . 0.80000000000000004 111.049 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . 0.428 ' N ' ' HB ' ' A' ' 419' ' ' THR . 18.4 Cg_endo -74.94 -0.59 10.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 1.0900000000000001 111.084 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.82 133.2 45.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 2.9300000000000002 109.253 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 429' ' ' ILE . . . . . 0.664 HD11 ' CD1' ' A' ' 442' ' ' PHE . 6.7 tp -128.24 144.26 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 1.4399999999999999 109.263 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 430' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 430' ' ' ASP . 0.8 OUTLIER -93.55 -60.33 1.8 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.489 1.118 . . . . 3.1600000000000001 109.279 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 431' ' ' ALA . . . . . 0.818 ' HA ' ' HB2' ' A' ' 382' ' ' ALA . . . -154.73 166.05 34.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.461 1.101 . . . . 0.76000000000000001 109.296 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 441' ' ' TYR . 6.6 p -158.12 143.64 8.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 2.1400000000000001 109.296 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 433' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 433' ' ' PHE . 5.6 p90 -142.46 123.0 14.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.095 . . . . 2.5699999999999998 110.965 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -85.88 88.87 7.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 3.6699999999999999 111.04 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 435' ' ' SER . . . . . 0.585 ' CB ' HG21 ' A' ' 293' ' ' THR . 1.3 p -113.98 -14.83 12.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 2.3100000000000001 109.918 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 436' ' ' LYS . . . . . 0.483 ' HD3' ' CE1' ' A' ' 441' ' ' TYR . 0.2 OUTLIER -73.27 -167.12 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 4.0300000000000002 109.314 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -97.97 -50.68 4.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 4.2300000000000004 109.296 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 438' ' ' LYS . . . . . 0.502 ' HA ' ' CE ' ' A' ' 438' ' ' LYS . 0.0 OUTLIER -145.78 50.2 1.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 3.2999999999999998 109.356 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -143.33 162.49 35.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 2.6499999999999999 111.016 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -125.27 109.96 13.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 3.54 110.977 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 441' ' ' TYR . . . . . 0.844 ' O ' HG23 ' A' ' 432' ' ' VAL . 3.2 m-85 -89.52 125.1 35.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.423 1.077 . . . . 2.5099999999999998 110.988 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . 0.816 ' CD2' HG21 ' A' ' 425' ' ' ILE . 12.0 m-85 -125.23 146.98 49.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 3.3700000000000001 111.054 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 443' ' ' PHE . . . . . 0.562 ' CZ ' ' HG3' ' A' ' 448' ' ' GLN . 0.2 OUTLIER -123.68 118.73 27.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 3.9900000000000002 111.025 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 444' ' ' GLN . . . . . 0.531 ' OE1' HD12 ' A' ' 429' ' ' ILE . 1.1 pm0 -145.96 91.03 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 6.2300000000000004 110.267 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 445' ' ' GLY . . . . . 0.458 ' O ' ' ND2' ' A' ' 447' ' ' ASN . . . 81.29 67.3 1.54 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.47 1.106 . . . . 3.8999999999999999 110.976 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 96.8 p 42.24 30.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.75 . . . . 1.75 110.009 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 447' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 445' ' ' GLY . 78.8 m-20 -123.2 119.1 29.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 2.2999999999999998 109.308 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 448' ' ' GLN . . . . . 0.562 ' HG3' ' CZ ' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -106.44 100.28 9.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 3.5099999999999998 110.259 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 449' ' ' PHE . . . . . 0.464 ' HD2' HG21 ' A' ' 458' ' ' ILE . 11.2 m-85 -107.7 146.86 31.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 2.7799999999999998 110.99 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.44 143.08 48.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 4.0800000000000001 110.303 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 451' ' ' TYR . . . . . 0.469 ' CE2' ' HB3' ' A' ' 422' ' ' PHE . 3.3 t80 -117.45 123.37 46.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 3.1299999999999999 110.99 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -103.7 111.64 24.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.148 . . . . 3.1499999999999999 109.323 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -63.51 -12.26 30.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 3.6200000000000001 111.025 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . 0.637 HD23 ' CD2' ' A' ' 455' ' ' LEU . 11.2 tp -54.96 -32.68 61.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 2.25 109.27 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.637 ' CD2' HD23 ' A' ' 454' ' ' LEU . 0.7 OUTLIER -173.55 37.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 2.1400000000000001 109.209 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 456' ' ' GLN . . . . . 0.457 ' HA ' ' CE1' ' A' ' 451' ' ' TYR . 5.0 pm0 36.66 64.69 0.54 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 4.8399999999999999 110.283 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -127.02 125.58 41.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 3.2599999999999998 110.269 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 458' ' ' ILE . . . . . 0.658 HD11 ' HA3' ' A' ' 424' ' ' GLY . 54.0 mt -90.69 106.4 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 1.6699999999999999 109.337 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 58.3 p -113.01 36.87 3.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.406 1.066 . . . . 2.5499999999999998 110.467 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -156.66 116.63 3.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 3.7000000000000002 109.288 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 23.2 p -149.48 87.11 1.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 2.23 110.389 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 462' ' ' LEU . . . . . 0.622 HD12 ' CB ' ' A' ' 466' ' ' SER . 1.1 pt? -121.78 177.34 5.31 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.538 1.149 . . . . 1.99 109.296 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 463' ' ' LYS . . . . . 0.449 ' O ' ' CB ' ' A' ' 466' ' ' SER . 0.0 OUTLIER -111.6 155.71 22.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 2.8199999999999998 109.299 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.04 -52.68 2.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 2.1299999999999999 110.012 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -76.95 55.94 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.594 1.184 . . . . 3.52 109.257 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . 0.622 ' CB ' HD12 ' A' ' 462' ' ' LEU . 49.6 m -133.5 52.65 2.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 3.27 110.049 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 467' ' ' TRP . . . . . 0.449 ' CD1' ' O ' ' A' ' 466' ' ' SER . 0.1 OUTLIER -175.08 -42.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 5.6500000000000004 108.043 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 468' ' ' PHE . . . . . 0.5 ' CE2' ' HB3' ' A' ' 281' ' ' LEU . 2.2 t80 -67.13 -39.85 86.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.531 1.145 . . . . 7.2400000000000002 111.025 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 93.9 80.33 1.48 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.513 1.133 . . . . 2.3900000000000001 110.988 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 470' ' ' CYS . . . . . 1.081 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 1.5 t . . . . . 0 C--N 1.325 -0.497 0 N-CA-C 108.326 -0.99 . . . . 6.9699999999999998 108.326 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 281' ' ' LEU . . . . . 1.116 HD11 ' CZ3' ' A' ' 307' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.294 -0.632 . . . . 3.5 109.294 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 282' ' ' CYS . . . . . . . . . . . . . 10.2 t -115.38 32.7 5.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 2.9100000000000001 108.221 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 283' ' ' ASP . . . . . 0.412 ' HB3' ' OD1' ' A' ' 285' ' ' ASN . 3.9 m-20 -165.84 145.33 5.25 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 3.3399999999999999 109.271 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 81.62 2.17 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 1.98 111.009 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 285' ' ' ASN . . . . . 0.412 ' OD1' ' HB3' ' A' ' 283' ' ' ASP . 0.2 OUTLIER -173.67 41.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 2.79 109.343 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 286' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 281' ' ' LEU . 0.4 OUTLIER -118.92 154.59 32.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.446 1.092 . . . . 2.7000000000000002 109.307 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 287' ' ' SER . . . . . 0.45 ' H ' HD23 ' A' ' 286' ' ' LEU . 59.0 p -145.71 167.57 22.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 1.4299999999999999 110.036 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -130.04 173.05 11.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 3.0699999999999998 111.031 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.34 -49.83 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 2.9199999999999999 109.278 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 290' ' ' ALA . . . . . 0.539 ' HA ' ' HB2' ' A' ' 431' ' ' ALA . . . -138.1 152.6 48.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.89000000000000001 109.342 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 291' ' ' VAL . . . . . 0.485 HG23 ' HB3' ' A' ' 431' ' ' ALA . 55.8 t -141.05 159.78 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 2.2000000000000002 109.326 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . 0.425 ' CG2' ' N ' ' A' ' 293' ' ' THR . 0.8 OUTLIER -152.89 164.45 37.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 1.75 110.397 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 293' ' ' THR . . . . . 0.425 ' N ' ' CG2' ' A' ' 292' ' ' THR . 11.6 t -137.84 144.44 41.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 2.21 110.415 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 294' ' ' VAL . . . . . 0.701 HG22 ' CD ' ' A' ' 337' ' ' GLU . 70.0 t -144.7 67.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 2.1600000000000001 109.273 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 93.94 -108.96 3.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.132 . . . . 2.8300000000000001 111.004 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -109.83 12.91 23.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 0.756 . . . . 3.0499999999999998 109.279 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.872 ' HA ' HG21 ' A' ' 310' ' ' VAL . 7.1 mtmm -107.88 152.35 24.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 2.7999999999999998 109.348 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 2.5 pt -133.22 132.44 58.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 2.21 109.278 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 299' ' ' PHE . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 301' ' ' PHE . 52.9 m-85 -114.18 150.96 33.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 2.71 111.001 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 300' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -142.54 132.79 24.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 2.5499999999999998 110.969 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 301' ' ' PHE . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 299' ' ' PHE . 0.1 OUTLIER -134.48 171.63 14.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 2.8399999999999999 110.949 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 302' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 303' ' ' ASP . 3.9 tptp -145.59 -113.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 4.7699999999999996 109.286 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 303' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 302' ' ' LYS . 71.2 m-20 -77.62 -79.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 2.9300000000000002 109.258 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.64 -24.59 6.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.078 . . . . 3.9399999999999999 110.286 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 305' ' ' PHE . . . . . 0.569 ' CE1' HD12 ' A' ' 320' ' ' LEU . 74.3 m-85 -94.71 147.9 22.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 2.77 111.05 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 306' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' A' ' 318' ' ' VAL . 6.1 p90 -128.3 143.84 51.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 1.6100000000000001 111.027 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 307' ' ' TRP . . . . . 1.116 ' CZ3' HD11 ' A' ' 281' ' ' LEU . 52.1 m95 -106.66 149.07 27.61 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.013 -1.106 . . . . 4.7699999999999996 108.013 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 46.2 tp -143.62 130.81 20.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.172 . . . . 2.6600000000000001 109.298 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 309' ' ' LYS . . . . . 0.52 ' HD3' HG22 ' A' ' 316' ' ' THR . 22.4 tptp -152.3 102.36 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 2.0299999999999998 109.234 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 310' ' ' VAL . . . . . 0.872 HG21 ' HA ' ' A' ' 297' ' ' LYS . 3.8 p -176.81 -178.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.484 1.115 . . . . 2.25 109.353 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 311' ' ' SER . . . . . 0.712 ' H ' HG22 ' A' ' 310' ' ' VAL . 14.3 t 45.81 87.56 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.528 1.142 . . . . 4.3200000000000003 109.96 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 312' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 311' ' ' SER . 4.6 tt0 32.33 77.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.562 1.163 . . . . 4.8399999999999999 110.318 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -116.75 128.63 25.88 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 4.3600000000000003 110.286 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -34.4 3.84 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.559 1.82 . . . . 1.8799999999999999 110.995 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.1 172.49 18.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 4.4299999999999997 109.301 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . 0.86 ' OG1' HD13 ' A' ' 281' ' ' LEU . 70.0 p -81.24 172.24 13.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.129 . . . . 1.1699999999999999 110.42 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.36 137.08 15.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 2.1800000000000002 109.999 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 318' ' ' VAL . . . . . 0.58 ' HB ' ' CE3' ' A' ' 307' ' ' TRP . 7.2 p -121.02 120.03 61.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 3.5499999999999998 109.276 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -133.05 179.2 6.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 3.5299999999999998 109.299 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.569 HD12 ' CE1' ' A' ' 305' ' ' PHE . 0.3 OUTLIER -86.87 149.14 25.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 1.8600000000000001 109.311 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 321' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 324' ' ' LEU . 11.0 mt -64.44 -63.17 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 1.47 109.318 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 14.4 m -45.26 -37.71 4.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 1.71 109.974 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.03 -37.98 69.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.6699999999999999 109.989 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 321' ' ' ILE . 7.8 tp -93.1 -74.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 3.9399999999999999 109.268 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.63 159.62 83.0 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 1.6599999999999999 107.978 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -79.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.406 1.74 . . . . 1.27 111.01 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 327' ' ' THR . . . . . 0.693 ' O ' HD22 ' A' ' 328' ' ' LEU . 0.1 OUTLIER -123.33 94.21 4.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 1.79 110.475 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 328' ' ' LEU . . . . . 0.693 HD22 ' O ' ' A' ' 327' ' ' THR . 1.5 mm? -126.58 154.19 75.39 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 1.1799999999999999 109.311 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 329' ' ' PRO . . . . . 0.426 ' HD2' HD13 ' A' ' 328' ' ' LEU . 18.5 Cg_endo -74.9 130.04 13.0 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.521 1.8 . . . . 1.95 110.994 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 1.3 m -85.27 138.85 32.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 2.4199999999999999 110.021 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 93.27 41.93 4.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.145 . . . . 1.3799999999999999 111.012 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 21.4 mt -49.2 129.69 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 1.8300000000000001 109.321 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.27 -29.55 11.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 3.1000000000000001 110.292 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -158.72 125.72 4.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.85999999999999999 109.29 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -121.89 126.92 49.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.81999999999999995 109.279 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 336' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -131.05 101.79 5.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 3.98 110.984 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 337' ' ' GLU . . . . . 0.701 ' CD ' HG22 ' A' ' 294' ' ' VAL . 0.1 OUTLIER -105.05 135.34 46.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 3.8700000000000001 110.322 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 338' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 338' ' ' ILE . 6.8 tp -118.24 132.02 69.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 4.1299999999999999 109.35 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -96.78 17.52 16.44 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.566 1.166 . . . . 3.5600000000000001 110.322 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -77.98 -52.78 8.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.591 1.182 . . . . 1.6499999999999999 109.275 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 341' ' ' ARG . . . . . 0.431 ' CG ' ' HG2' ' A' ' 343' ' ' GLN . 0.6 OUTLIER -105.88 0.38 25.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 3.5899999999999999 110.291 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 35.2 t30 68.25 51.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 2.0099999999999998 109.28 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . 0.449 HE21 ' N ' ' A' ' 344' ' ' VAL . 0.0 OUTLIER -119.67 168.21 11.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.123 . . . . 4.2300000000000004 110.271 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 344' ' ' VAL . . . . . 0.449 ' N ' HE21 ' A' ' 343' ' ' GLN . 15.7 t -138.96 130.68 36.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.516 1.135 . . . . 1.6200000000000001 109.331 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 345' ' ' PHE . . . . . 0.415 ' CZ ' ' HB2' ' A' ' 347' ' ' PHE . 23.5 t80 -123.77 130.21 52.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 5.9400000000000004 111.014 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' A' ' 346' ' ' LEU . 3.2 mm? -125.39 110.18 13.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 1.3999999999999999 109.299 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 347' ' ' PHE . . . . . 0.415 ' HB2' ' CZ ' ' A' ' 345' ' ' PHE . 3.3 t80 -90.51 145.11 25.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 6.1100000000000003 111.047 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 348' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.6 OUTLIER -161.05 114.9 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 4.4000000000000004 109.29 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 61.13 -144.77 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 3.75 109.279 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 350' ' ' ASP . . . . . 0.479 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 19.1 p-10 -89.2 36.45 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 2.98 109.258 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 4.7 mtmt -156.09 154.02 30.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 1.6599999999999999 109.262 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 352' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 366' ' ' LYS . 5.5 p90 -145.55 133.8 21.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 2.5600000000000001 111.026 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 -91.66 164.15 13.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 3.7000000000000002 108.072 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 354' ' ' LEU . . . . . 0.751 ' C ' HD13 ' A' ' 354' ' ' LEU . 1.7 tm? -127.4 111.39 13.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 2.8599999999999999 109.266 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.564 HD11 HD11 ' A' ' 328' ' ' LEU . 1.9 mp -91.3 110.83 22.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.165 . . . . 1.3799999999999999 109.279 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 356' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' A' ' 357' ' ' ASN . 52.3 p -99.17 104.16 16.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 2.98 109.969 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 357' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 356' ' ' SER . 12.1 m-20 78.11 -56.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 3.1299999999999999 109.252 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 358' ' ' LEU . . . . . 0.773 HD23 ' HG2' ' A' ' 359' ' ' ARG . 0.1 OUTLIER -162.77 -49.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 4.9100000000000001 109.26 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 359' ' ' ARG . . . . . 0.773 ' HG2' HD23 ' A' ' 358' ' ' LEU . 0.0 OUTLIER -88.61 120.08 70.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 4.4400000000000004 110.261 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 360' ' ' PRO . . . . . 0.448 ' HG3' HD21 ' A' ' 328' ' ' LEU . 18.4 Cg_endo -75.02 144.81 30.61 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.522 1.801 . . . . 1.3999999999999999 111.042 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -49.94 128.96 21.65 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 3.1200000000000001 110.27 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 139.72 24.48 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.556 1.819 . . . . 2.0699999999999998 111.001 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 363' ' ' ASN . . . . . 0.426 ' C ' ' HD3' ' A' ' 365' ' ' PRO . 2.6 m-80 61.06 62.33 1.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 4.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 364' ' ' TYR . . . . . 0.589 ' CE2' ' HD3' ' A' ' 366' ' ' LYS . 0.4 OUTLIER -134.46 55.76 15.76 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 3.1099999999999999 111.003 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 365' ' ' PRO . . . . . 0.551 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -75.03 46.82 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.528 1.804 . . . . 1.1799999999999999 110.979 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 366' ' ' LYS . . . . . 0.589 ' HD3' ' CE2' ' A' ' 364' ' ' TYR . 0.1 OUTLIER -49.04 151.45 1.29 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 1.8600000000000001 109.332 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 367' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 350' ' ' ASP . 0.7 OUTLIER -130.67 125.93 35.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 2.48 109.979 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 368' ' ' ILE . . . . . 0.442 HG23 ' CD1' ' A' ' 352' ' ' TYR . 3.7 pt -60.3 -32.36 50.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.56 1.163 . . . . 1.6100000000000001 109.293 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -21.4 64.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 2.96 109.612 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.21 -8.71 41.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 2.3599999999999999 110.036 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 175.48 58.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 6.3600000000000003 110.997 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 372' ' ' GLY . . . . . 0.485 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -165.49 -66.19 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.429 1.08 . . . . 2.7999999999999998 111.023 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 373' ' ' PHE . . . . . 0.574 ' CZ ' ' O ' ' A' ' 375' ' ' ASN . 62.0 t80 -30.96 94.49 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 4.6699999999999999 111.047 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 374' ' ' PRO . . . . . 0.466 ' N ' ' O ' ' A' ' 372' ' ' GLY . 18.4 Cg_endo -74.99 -61.86 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.527 1.804 . . . . 2.7999999999999998 111.038 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 375' ' ' ASN . . . . . 0.574 ' O ' ' CZ ' ' A' ' 373' ' ' PHE . 44.3 t-20 -119.74 -70.81 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 4.8799999999999999 109.297 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -145.84 66.21 1.21 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 5.3899999999999997 110.995 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 377' ' ' VAL . . . . . . . . . . . . . 71.1 t -112.3 155.29 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 2.5899999999999999 109.297 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.9 -36.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 2.8399999999999999 109.316 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -116.48 120.34 38.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 1.78 109.35 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 30.3 mt -105.43 158.35 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 1.23 109.278 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 381' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 430' ' ' ASP . 0.5 OUTLIER -96.21 -45.01 7.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 2.1299999999999999 109.272 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 382' ' ' ALA . . . . . 0.589 ' HB2' ' HA ' ' A' ' 431' ' ' ALA . . . -156.75 166.9 32.06 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.547 1.154 . . . . 0.63 109.336 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -157.63 126.35 5.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.67000000000000004 109.262 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 27.5 m -138.86 150.7 23.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.533 1.146 . . . . 2.4399999999999999 109.308 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -100.38 155.72 17.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 1.9399999999999999 111.046 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 386' ' ' ASN . . . . . 0.457 ' ND2' ' CE1' ' A' ' 393' ' ' TYR . 5.8 m-20 -135.55 113.42 11.05 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 3.0699999999999998 109.276 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 387' ' ' PRO . . . . . 0.457 ' HD3' ' CE2' ' A' ' 434' ' ' TYR . 18.3 Cg_endo -75.08 -12.54 21.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.452 1.764 . . . . 2.0800000000000001 110.979 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.46 -34.0 31.69 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.492 1.12 . . . . 2.1800000000000002 110.287 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -110.55 0.03 17.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 3.1200000000000001 110.929 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 50.04 30.68 4.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 2.8199999999999998 111.02 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 21.8 mtt180 -135.77 158.94 43.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 3.8199999999999998 110.317 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 28.3 m -106.02 124.19 49.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.95999999999999996 110.419 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . 0.457 ' CE1' ' ND2' ' A' ' 386' ' ' ASN . 5.7 m-85 -82.18 122.19 27.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 2.0 110.939 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -112.66 116.48 30.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 2.1899999999999999 111.06 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 395' ' ' PHE . . . . . 0.651 ' HE2' HG11 ' A' ' 432' ' ' VAL . 21.3 m-85 -97.24 115.16 27.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.432 1.083 . . . . 1.3799999999999999 110.96 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 98.7 t -135.79 123.66 36.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 1.5800000000000001 109.287 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 54.58 -151.95 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.431 1.082 . . . . 3.1800000000000002 109.262 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . 0.408 ' O ' ' OD1' ' A' ' 398' ' ' ASN . 7.2 p30 -88.62 42.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 3.3300000000000001 109.324 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 399' ' ' GLN . . . . . 0.466 ' O ' HD11 ' A' ' 418' ' ' ILE . 2.3 mt-30 -141.62 163.14 33.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 2.5099999999999998 110.26 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -127.3 113.19 15.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 2.2400000000000002 111.011 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -109.49 155.63 21.1 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.043 -1.095 . . . . 5.5199999999999996 108.043 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 -143.25 130.51 20.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 3.0699999999999998 110.275 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 403' ' ' TYR . . . . . 0.459 ' CD1' ' HB2' ' A' ' 410' ' ' MET . 19.8 m-30 -113.37 157.6 21.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 8.2100000000000009 110.992 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.23 121.08 31.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 2.96 109.271 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.63 -56.25 3.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 2.48 110.346 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 4.0 ppt_? -59.97 -35.24 74.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 6.3600000000000003 110.292 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -87.96 -38.44 15.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 3.1800000000000002 110.253 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 77.05 40.12 0.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 2.3300000000000001 110.391 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 11.0 tpp -138.05 92.21 2.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 2.6499999999999999 110.949 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 410' ' ' MET . . . . . 0.459 ' HB2' ' CD1' ' A' ' 403' ' ' TYR . 0.0 OUTLIER -53.98 136.09 41.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 1.98 110.954 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.69 113.36 55.4 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 3.2200000000000002 109.335 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -55.19 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.541 1.811 . . . . 3.96 110.942 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . -75.8 65.81 2.5 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.438 1.086 . . . . 2.6099999999999999 111.021 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 414' ' ' TYR . . . . . 0.427 ' N ' ' HD3' ' A' ' 415' ' ' PRO . 37.2 t80 -135.29 62.42 50.57 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 3.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 415' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.4 Cg_endo -74.99 106.13 2.22 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 2.4700000000000002 110.993 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -135.86 -179.19 5.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.565 1.166 . . . . 2.4700000000000002 109.297 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 417' ' ' LEU . . . . . 0.456 HD13 ' HD2' ' A' ' 420' ' ' LYS . 0.1 OUTLIER -131.97 145.99 51.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.136 . . . . 1.8799999999999999 109.335 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 418' ' ' ILE . . . . . 0.565 HD12 ' O ' ' A' ' 427' ' ' PRO . 3.5 mt -70.65 -48.84 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 1.28 109.284 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 419' ' ' THR . . . . . 0.425 HG22 HD23 ' A' ' 417' ' ' LEU . 1.4 t -67.1 -35.96 80.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 1.4399999999999999 110.414 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . 0.456 ' HD2' HD13 ' A' ' 417' ' ' LEU . 47.1 mttt -66.18 -62.73 1.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 2.1499999999999999 109.283 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . 0.515 ' ND2' ' CE2' ' A' ' 422' ' ' PHE . 42.8 t30 -51.81 -50.12 61.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 2.27 109.354 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 422' ' ' PHE . . . . . 0.515 ' CE2' ' ND2' ' A' ' 421' ' ' ASN . 61.7 m-85 -123.76 98.82 5.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 2.4500000000000002 111.019 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -86.78 110.65 20.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 3.5 110.291 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 149.75 -29.88 1.14 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 1.49 111.024 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 425' ' ' ILE . . . . . 0.688 HG21 ' CG ' ' A' ' 442' ' ' PHE . 14.2 pt -88.37 -34.27 6.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.531 0.783 . . . . 2.4100000000000001 109.304 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 115.06 -179.72 18.36 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.468 1.105 . . . . 0.92000000000000004 110.987 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . 0.565 ' O ' HD12 ' A' ' 418' ' ' ILE . 18.2 Cg_endo -74.97 -34.55 3.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.529 1.805 . . . . 1.5700000000000001 111.042 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.31 147.2 40.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 3.1699999999999999 109.335 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 429' ' ' ILE . . . . . 0.526 HG21 ' CD2' ' A' ' 395' ' ' PHE . 5.1 tp -139.42 107.82 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 2.0699999999999998 109.307 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 430' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 381' ' ' ASP . 8.7 m-20 -44.95 -67.4 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 2.23 109.326 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 431' ' ' ALA . . . . . 0.589 ' HA ' ' HB2' ' A' ' 382' ' ' ALA . . . -146.79 163.3 36.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 1.03 109.297 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.651 HG11 ' HE2' ' A' ' 395' ' ' PHE . 2.3 p -160.11 149.77 6.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.137 . . . . 1.98 109.235 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 433' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 441' ' ' TYR . 1.9 p90 -138.11 146.41 42.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 3.5099999999999998 111.005 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 434' ' ' TYR . . . . . 0.457 ' CE2' ' HD3' ' A' ' 387' ' ' PRO . 4.2 t80 -105.15 98.12 7.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 3.4100000000000001 110.949 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.69 -166.62 2.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 3.8599999999999999 110.03 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 436' ' ' LYS . . . . . 0.419 ' HG3' ' CE1' ' A' ' 441' ' ' TYR . 30.6 mmtm 75.64 -141.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 6.5700000000000003 109.341 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 437' ' ' ASN . . . . . 0.457 ' O ' ' CD2' ' A' ' 439' ' ' TYR . 3.4 m-80 -112.94 98.83 7.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 5.4699999999999998 109.363 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 438' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 437' ' ' ASN . 1.3 tppp? 38.83 41.09 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 3.3900000000000001 109.295 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 439' ' ' TYR . . . . . 0.457 ' CD2' ' O ' ' A' ' 437' ' ' ASN . 8.0 m-85 -124.71 142.66 51.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 3.1099999999999999 110.953 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 440' ' ' TYR . . . . . 0.445 ' HB3' ' CE1' ' A' ' 442' ' ' PHE . 44.6 m-85 -115.15 119.26 35.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.179 . . . . 3.0499999999999998 110.947 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 441' ' ' TYR . . . . . 0.578 ' HB2' ' CE2' ' A' ' 433' ' ' PHE . 7.5 m-85 -98.41 117.11 32.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 2.7999999999999998 110.983 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . 0.688 ' CG ' HG21 ' A' ' 425' ' ' ILE . 90.5 m-85 -110.53 130.14 55.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 3.5899999999999999 110.97 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 443' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -109.63 110.79 21.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 4.9900000000000002 110.986 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -133.88 69.04 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 3.1800000000000002 110.285 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 116.37 -111.95 2.47 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.505 1.128 . . . . 2.3199999999999998 110.963 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 81.8 p -126.58 39.36 3.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 1.9299999999999999 109.95 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -150.76 143.0 24.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 2.5600000000000001 109.326 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 448' ' ' GLN . . . . . 0.441 ' CG ' ' HB3' ' A' ' 462' ' ' LEU . 12.6 pt20 -123.77 105.52 9.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 3.46 110.316 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 449' ' ' PHE . . . . . 0.623 ' HD1' HG21 ' A' ' 458' ' ' ILE . 55.5 m-85 -83.56 151.88 25.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 2.6099999999999999 111.021 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 0.481 ' OE1' ' CZ ' ' A' ' 441' ' ' TYR . 2.5 tt0 -113.97 92.12 3.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 4.1100000000000003 110.322 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 451' ' ' TYR . . . . . 0.493 ' CD2' HG13 ' A' ' 458' ' ' ILE . 1.1 t80 -83.19 114.24 21.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 3.1899999999999999 111.034 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.71 139.54 37.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 3.7400000000000002 109.307 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -72.08 -8.5 54.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.584 1.178 . . . . 3.8199999999999998 111.035 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 20.1 tp -45.1 -37.17 4.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 2.3599999999999999 109.249 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -169.56 37.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.155 . . . . 2.2400000000000002 109.325 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 39.26 57.47 2.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 4.2800000000000002 110.318 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.77 138.6 27.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 4.29 110.272 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 458' ' ' ILE . . . . . 0.623 HG21 ' HD1' ' A' ' 449' ' ' PHE . 21.0 mt -81.7 110.63 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.581 1.176 . . . . 1.99 109.294 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 15.1 t -95.69 -32.08 12.93 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.47 1.107 . . . . 2.98 110.389 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.02 141.63 47.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 2.9300000000000002 109.219 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 461' ' ' THR . . . . . 0.534 HG23 ' CD1' ' A' ' 449' ' ' PHE . 96.3 m -144.88 105.14 4.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 2.54 110.39 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 462' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 466' ' ' SER . 32.7 tp -100.53 160.93 13.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 3.4199999999999999 109.263 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 463' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 466' ' ' SER . 0.0 OUTLIER -107.47 131.29 54.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 4.2199999999999998 109.302 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 464' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 463' ' ' LYS . 37.1 p -35.96 -38.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 2.6800000000000002 110.059 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -101.73 56.06 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 2.8199999999999998 109.266 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . 0.47 ' HB3' ' CD1' ' A' ' 462' ' ' LEU . 1.9 t -146.97 61.55 1.19 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 3.0499999999999998 109.985 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -171.57 -42.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 4.9900000000000002 107.996 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 468' ' ' PHE . . . . . 0.507 ' N ' ' CD1' ' A' ' 468' ' ' PHE . 1.2 m-30 -72.34 -24.55 61.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 6.1500000000000004 110.958 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 98.5 57.29 1.0 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 2.5699999999999998 111.068 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 N-CA-C 108.296 -1.002 . . . . 3.27 108.296 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 281' ' ' LEU . . . . . 0.964 HD11 ' OG1' ' A' ' 316' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.302 -0.629 . . . . 4.1600000000000001 109.302 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 282' ' ' CYS . . . . . 1.058 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 3.8 t -173.65 44.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 4.2000000000000002 108.306 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.03 134.41 1.16 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 4.4100000000000001 109.282 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 284' ' ' PRO . . . . . 0.457 ' HB3' ' CB ' ' A' ' 463' ' ' LYS . 18.2 Cg_endo -75.01 69.68 5.5 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.494 1.786 . . . . 2.3799999999999999 110.987 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -132.81 19.96 4.18 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.516 1.135 . . . . 4.2999999999999998 109.297 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 4.4 tp -109.46 164.53 12.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 2.71 109.281 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 14.4 p -144.12 178.29 7.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 1.96 109.996 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 288' ' ' PHE . . . . . 0.752 ' CE2' ' CD1' ' A' ' 300' ' ' PHE . 19.8 m-85 -140.19 171.59 13.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 2.7200000000000002 110.982 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -141.89 -51.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 3.3999999999999999 109.289 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -147.61 130.1 15.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 1.01 109.285 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 291' ' ' VAL . . . . . 0.658 HG12 ' HB1' ' A' ' 431' ' ' ALA . 1.9 p -141.89 145.73 23.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 2.4900000000000002 109.289 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . 0.702 ' HB ' ' HB3' ' A' ' 335' ' ' ALA . 9.1 t -147.98 126.9 12.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 1.52 110.344 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 293' ' ' THR . . . . . 0.449 HG21 ' O ' ' A' ' 434' ' ' TYR . 12.7 t -90.57 155.65 18.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 2.0699999999999998 110.418 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 294' ' ' VAL . . . . . 0.641 ' O ' HG23 ' A' ' 294' ' ' VAL . 28.6 m -145.84 82.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 3.4900000000000002 109.33 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 295' ' ' GLY . . . . . 0.431 ' CA ' ' OE1' ' A' ' 339' ' ' GLU . . . 85.97 -106.71 3.08 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.51 1.131 . . . . 2.1499999999999999 110.996 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -113.28 3.72 16.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 0.776 . . . . 3.6200000000000001 109.289 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.514 ' HA ' HG11 ' A' ' 310' ' ' VAL . 1.8 mtpp -112.53 131.34 55.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 2.6499999999999999 109.286 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 298' ' ' ILE . . . . . 0.655 HD12 ' HB ' ' A' ' 310' ' ' VAL . 1.3 mt -107.88 126.1 64.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 2.4700000000000002 109.257 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -103.98 87.66 2.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 2.77 110.99 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 300' ' ' PHE . . . . . 0.752 ' CD1' ' CE2' ' A' ' 288' ' ' PHE . 0.4 OUTLIER -86.44 128.13 34.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 6.4199999999999999 111.042 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 301' ' ' PHE . . . . . 0.415 ' N ' ' CD1' ' A' ' 300' ' ' PHE . 94.9 m-85 -113.17 151.58 30.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 2.4700000000000002 110.996 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 302' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 305' ' ' PHE . 24.4 tptp -144.78 89.99 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 3.3900000000000001 109.288 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 303' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 331' ' ' GLY . 3.0 m-20 63.76 -85.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 3.3300000000000001 109.289 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 304' ' ' ARG . . . . . 0.443 ' O ' HD12 ' A' ' 321' ' ' ILE . 0.0 OUTLIER -120.78 -28.6 4.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.393 1.058 . . . . 4.5199999999999996 110.315 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 305' ' ' PHE . . . . . 0.506 ' HB3' ' CH2' ' A' ' 307' ' ' TRP . 65.5 m-85 -93.52 149.32 21.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 3.27 110.935 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 306' ' ' PHE . . . . . 0.545 ' C ' ' CD1' ' A' ' 306' ' ' PHE . 2.1 p90 -135.62 160.82 37.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 1.5800000000000001 110.988 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 307' ' ' TRP . . . . . 0.624 ' CD1' ' O ' ' A' ' 317' ' ' SER . 8.5 m-90 -137.59 127.55 25.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 4.46 107.983 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 298' ' ' ILE . 0.2 OUTLIER -124.51 125.74 44.71 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.502 1.126 . . . . 3.04 109.297 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 309' ' ' LYS . . . . . 0.78 ' HG2' HG22 ' A' ' 316' ' ' THR . 0.0 OUTLIER -170.19 136.52 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 4.2300000000000004 109.306 179.896 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 310' ' ' VAL . . . . . 0.734 HG13 ' H ' ' A' ' 311' ' ' SER . 0.8 OUTLIER -176.98 -77.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.157 . . . . 3.2999999999999998 109.272 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 311' ' ' SER . . . . . 0.734 ' H ' HG13 ' A' ' 310' ' ' VAL . 9.4 t -29.07 -90.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 4.0 110.048 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -114.43 -29.58 6.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 5.25 110.261 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 45.5 mtt85 -39.06 101.08 0.22 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 4.8899999999999997 110.335 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 -24.33 13.17 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.507 1.793 . . . . 3.0600000000000001 111.062 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -125.35 146.92 49.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 3.3599999999999999 109.309 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . 0.964 ' OG1' HD11 ' A' ' 281' ' ' LEU . 76.2 p -74.73 137.56 42.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.12 . . . . 1.3899999999999999 110.374 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 317' ' ' SER . . . . . 0.624 ' O ' ' CD1' ' A' ' 307' ' ' TRP . 4.9 t -81.2 161.96 23.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 2.2999999999999998 110.025 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 318' ' ' VAL . . . . . 0.615 HG22 ' HE1' ' A' ' 307' ' ' TRP . 6.7 t -131.91 109.78 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 3.0899999999999999 109.313 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -153.21 176.58 11.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 2.27 109.309 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -109.12 157.24 18.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 1.71 109.308 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 321' ' ' ILE . . . . . 0.443 HD12 ' O ' ' A' ' 304' ' ' ARG . 5.3 mt -60.38 -71.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 1.1899999999999999 109.334 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 16.0 m -41.36 -48.57 3.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 1.9399999999999999 110.017 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 1.1 m -39.77 -36.64 0.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 1.8600000000000001 110.014 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.97 -87.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 2.02 109.259 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -43.1 153.23 0.35 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 1.78 108.04 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 326' ' ' PRO . . . . . 0.4 ' HG2' ' CD ' ' A' ' 360' ' ' PRO . 18.2 Cg_endo -75.04 -69.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 1.05 110.954 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 327' ' ' THR . . . . . 0.788 ' O ' HD22 ' A' ' 328' ' ' LEU . 0.5 OUTLIER -128.57 96.67 4.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 1.48 110.391 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 328' ' ' LEU . . . . . 0.788 HD22 ' O ' ' A' ' 327' ' ' THR . 1.9 mm? -133.72 140.36 36.42 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 1.25 109.327 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 329' ' ' PRO . . . . . 0.659 ' HD2' HD13 ' A' ' 328' ' ' LEU . 18.3 Cg_endo -74.93 118.16 5.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.483 1.781 . . . . 2.02 110.979 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 2.6 p -67.86 147.8 52.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 2.4700000000000002 109.948 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 303' ' ' ASP . . . 75.53 50.95 7.63 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.464 1.102 . . . . 1.3200000000000001 111.035 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 8.7 mt -50.9 136.63 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 0.723 . . . . 1.6200000000000001 109.321 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -79.69 -33.01 41.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 2.7400000000000002 110.312 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -177.6 143.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 1.0700000000000001 109.298 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . 0.702 ' HB3' ' HB ' ' A' ' 292' ' ' THR . . . -114.99 126.42 54.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 1.5600000000000001 109.304 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 336' ' ' TYR . . . . . 0.595 ' C ' ' CD1' ' A' ' 336' ' ' TYR . 0.0 OUTLIER -139.95 103.4 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 3.54 110.967 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 337' ' ' GLU . . . . . 0.681 ' CB ' ' HA ' ' A' ' 344' ' ' VAL . 1.2 mm-40 -160.58 -176.04 5.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 7.9299999999999997 110.263 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 338' ' ' ILE . . . . . 0.596 HD11 ' HD2' ' A' ' 385' ' ' PHE . 3.6 mm -133.99 162.33 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 4.9299999999999997 109.327 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . 0.473 ' N ' ' CG2' ' A' ' 338' ' ' ILE . 10.0 pt-20 -89.06 -36.2 15.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 4.7199999999999998 110.326 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -48.08 -27.04 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 3.0299999999999998 109.29 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -95.13 -23.95 17.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 4.9000000000000004 110.313 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 342' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 339' ' ' GLU . 5.0 t30 70.2 39.43 1.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 3.2400000000000002 109.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -145.31 144.37 30.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 2.8399999999999999 110.331 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 344' ' ' VAL . . . . . 0.681 ' HA ' ' CB ' ' A' ' 337' ' ' GLU . 74.0 t -127.41 124.13 63.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 2.0699999999999998 109.283 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 345' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -98.54 103.27 15.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.386 1.054 . . . . 3.3199999999999998 111.03 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.428 HD23 HD11 ' A' ' 328' ' ' LEU . 2.5 mm? -87.41 135.8 33.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.585 1.178 . . . . 1.6599999999999999 109.274 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -105.3 148.11 27.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 2.4300000000000002 110.962 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 348' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.0 OUTLIER -166.42 124.11 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 3.29 109.325 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 9.1 t0 53.65 -151.88 0.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.418 1.074 . . . . 3.7999999999999998 109.279 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 350' ' ' ASP . . . . . 0.449 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 18.1 t70 -88.15 42.32 1.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 3.2999999999999998 109.257 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.449 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 11.9 mtmm -156.11 155.74 33.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 2.8100000000000001 109.256 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 352' ' ' TYR . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 366' ' ' LYS . 42.4 p90 -145.05 130.21 18.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 2.79 111.015 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -90.2 168.15 12.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 4.0199999999999996 108.037 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 354' ' ' LEU . . . . . 0.952 HD23 ' CE2' ' A' ' 364' ' ' TYR . 0.1 OUTLIER -131.39 116.48 17.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 2.5499999999999998 109.271 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.462 ' N ' HD12 ' A' ' 355' ' ' ILE . 1.8 mp -93.41 124.88 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 1.6200000000000001 109.219 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 21.7 t -124.07 109.53 13.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 1.6200000000000001 110.034 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 357' ' ' ASN . . . . . 0.432 ' O ' HD23 ' A' ' 358' ' ' LEU . 1.0 OUTLIER 57.14 48.35 15.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 4.54 109.28 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 358' ' ' LEU . . . . . 0.432 HD23 ' O ' ' A' ' 357' ' ' ASN . 0.2 OUTLIER 61.89 32.02 18.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 3.3399999999999999 109.28 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -141.27 99.93 6.41 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 3.6800000000000002 110.309 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 360' ' ' PRO . . . . . 0.42 ' HG3' ' CD2' ' A' ' 328' ' ' LEU . 18.3 Cg_endo -75.02 117.67 4.99 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.48 1.779 . . . . 2.2799999999999998 110.98 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -42.35 125.12 2.84 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 3.1699999999999999 110.29 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 133.65 16.83 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.459 1.768 . . . . 2.9399999999999999 111.014 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 363' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 61.62 58.18 2.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 4.1900000000000004 109.303 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 364' ' ' TYR . . . . . 0.952 ' CE2' HD23 ' A' ' 354' ' ' LEU . 7.5 t80 -134.93 57.62 22.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 2.96 110.982 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 365' ' ' PRO . . . . . 0.525 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -75.09 53.14 3.29 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.534 1.808 . . . . 1.47 111.003 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 366' ' ' LYS . . . . . 0.574 ' HG3' ' CE2' ' A' ' 364' ' ' TYR . 7.4 mmpt? -53.17 147.63 9.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 2.8799999999999999 109.334 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 78.4 p -121.4 124.3 44.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 2.3100000000000001 110.011 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 368' ' ' ILE . . . . . 0.606 HD13 ' N ' ' A' ' 368' ' ' ILE . 0.2 OUTLIER -42.95 -34.43 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 3.1000000000000001 109.338 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 369' ' ' HIS . . . . . 0.44 ' HA ' ' CB ' ' A' ' 373' ' ' PHE . 13.9 t-160 -43.01 -28.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.564 1.165 . . . . 3.8999999999999999 109.659 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 370' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 368' ' ' ILE . 0.3 OUTLIER -50.59 -22.19 1.89 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.534 1.146 . . . . 3.0299999999999998 110.007 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 173.72 54.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 6.29 110.985 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 372' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 374' ' ' PRO . . . -162.33 -68.87 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.149 . . . . 2.98 110.974 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 373' ' ' PHE . . . . . 0.497 ' CZ ' ' HA ' ' A' ' 376' ' ' PHE . 22.1 t80 -35.01 96.25 0.1 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.483 0.755 . . . . 6.2999999999999998 111.012 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 374' ' ' PRO . . . . . 0.437 ' N ' ' O ' ' A' ' 372' ' ' GLY . 18.6 Cg_endo -75.02 -61.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.799 . . . . 2.7999999999999998 111.068 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -122.32 -74.1 0.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.591 1.182 . . . . 4.3799999999999999 109.322 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 376' ' ' PHE . . . . . 0.497 ' HA ' ' CZ ' ' A' ' 373' ' ' PHE . 14.6 m-85 -141.93 53.52 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 7.4800000000000004 111.008 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 377' ' ' VAL . . . . . . . . . . . . . 58.1 t -94.41 99.12 8.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.468 1.105 . . . . 2.8700000000000001 109.371 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.14 30.49 4.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 3.21 109.312 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -174.57 110.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 2.02 109.277 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 8.1 mt -97.48 150.07 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.95999999999999996 109.246 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.98 -54.28 4.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 2.1499999999999999 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -159.78 165.12 33.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.79000000000000004 109.265 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -156.74 129.83 7.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.81999999999999995 109.261 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . 0.896 HG11 HG12 ' A' ' 432' ' ' VAL . 0.0 OUTLIER -132.14 170.22 20.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 2.6000000000000001 109.279 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 385' ' ' PHE . . . . . 0.596 ' HD2' HD11 ' A' ' 338' ' ' ILE . 32.7 t80 -134.35 123.64 24.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 1.8200000000000001 110.981 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -102.58 119.63 55.41 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 3.1800000000000002 109.344 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -20.12 17.03 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.417 1.746 . . . . 1.76 111.026 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.99 -28.71 32.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 2.7599999999999998 110.347 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.72 -1.41 21.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 4.1299999999999999 111.009 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 39.86 44.49 1.37 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 3.5 111.029 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -147.47 141.57 26.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 2.9700000000000002 110.295 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 392' ' ' THR . . . . . 0.637 HG23 ' O ' ' A' ' 384' ' ' VAL . 4.2 m -105.03 115.1 29.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 1.01 110.447 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -79.6 130.0 34.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 2.3900000000000001 111.02 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -107.22 109.57 21.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 2.1400000000000001 111.018 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -92.11 113.53 25.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 1.0 110.961 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 396' ' ' VAL . . . . . 0.454 HG12 ' CG ' ' A' ' 397' ' ' ASP . 88.5 t -137.41 125.94 33.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 1.5700000000000001 109.321 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 397' ' ' ASP . . . . . 0.454 ' CG ' HG12 ' A' ' 396' ' ' VAL . 0.2 OUTLIER 52.83 -152.53 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 4.0899999999999999 109.231 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -87.16 46.56 1.39 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.111 . . . . 3.2799999999999998 109.349 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -145.4 164.82 30.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 2.6899999999999999 110.275 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -126.69 133.71 50.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.602 1.189 . . . . 2.6400000000000001 111.05 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 401' ' ' TRP . . . . . 0.527 ' CZ2' ' HA ' ' A' ' 412' ' ' PRO . 0.7 OUTLIER -117.46 168.51 10.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 5.1100000000000003 108.0 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -152.37 116.16 4.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 4.3399999999999999 110.268 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -100.13 125.35 46.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 6.3300000000000001 111.02 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.41 125.54 27.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.57 1.168 . . . . 2.2999999999999998 109.354 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -93.63 -49.59 5.8 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.45 1.094 . . . . 3.5600000000000001 110.341 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -65.55 -24.17 67.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.18 . . . . 7.4800000000000004 110.306 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 407' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.0 OUTLIER -97.64 -41.84 7.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 2.4700000000000002 110.267 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . 0.44 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 1.0 OUTLIER 82.0 30.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 4.5099999999999998 110.305 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 6.7 tpt -136.54 105.17 5.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 1.98 111.047 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.35 146.74 53.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 2.0600000000000001 110.973 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -104.24 108.02 59.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 2.9399999999999999 109.321 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 412' ' ' PRO . . . . . 0.527 ' HA ' ' CZ2' ' A' ' 401' ' ' TRP . 18.3 Cg_endo -74.99 -49.12 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.539 1.81 . . . . 4.4500000000000002 110.982 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . -77.01 55.53 3.53 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.516 1.135 . . . . 2.2799999999999998 110.948 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 414' ' ' TYR . . . . . 0.49 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 1.9 t80 -134.06 62.48 57.26 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.531 0.783 . . . . 2.0299999999999998 110.988 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 415' ' ' PRO . . . . . 0.432 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -74.96 70.82 5.17 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.493 1.786 . . . . 1.5600000000000001 111.046 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . 0.49 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 9.4 mmtt -78.53 179.41 7.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 2.8999999999999999 109.294 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 417' ' ' LEU . . . . . 0.415 HD12 HG22 ' A' ' 419' ' ' THR . 0.6 OUTLIER -122.13 128.83 51.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 3.1200000000000001 109.239 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 418' ' ' ILE . . . . . 0.741 HD13 ' O ' ' A' ' 427' ' ' PRO . 2.6 mp -56.98 -51.61 66.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 1.1799999999999999 109.252 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 419' ' ' THR . . . . . 0.512 HG23 ' N ' ' A' ' 420' ' ' LYS . 4.6 t -59.28 -54.73 43.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 1.3400000000000001 110.364 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . 0.512 ' N ' HG23 ' A' ' 419' ' ' THR . 72.4 mttt -49.22 -52.79 24.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 1.76 109.328 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -53.99 -48.74 70.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 3.1600000000000001 109.265 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 422' ' ' PHE . . . . . 0.671 ' HB2' HD11 ' A' ' 425' ' ' ILE . 5.9 m-85 -136.34 99.75 4.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 3.1299999999999999 110.968 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -76.92 111.97 13.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 2.3700000000000001 110.326 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 141.06 -21.82 2.63 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.549 1.155 . . . . 1.4299999999999999 110.978 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 425' ' ' ILE . . . . . 0.671 HD11 ' HB2' ' A' ' 422' ' ' PHE . 9.0 pt -95.92 -31.01 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 2.1699999999999999 109.242 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 101.62 163.16 27.12 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.444 1.09 . . . . 0.94999999999999996 111.003 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . 0.741 ' O ' HD13 ' A' ' 418' ' ' ILE . 18.4 Cg_endo -74.94 -1.64 11.47 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 1.8400000000000001 110.999 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.16 136.23 52.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 2.3100000000000001 109.292 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -133.93 158.35 42.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 2.0800000000000001 109.308 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 430' ' ' ASP . . . . . 0.436 ' CB ' ' O ' ' A' ' 443' ' ' PHE . 0.9 OUTLIER -115.68 -59.76 1.96 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 2.7799999999999998 109.329 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 431' ' ' ALA . . . . . 0.658 ' HB1' HG12 ' A' ' 291' ' ' VAL . . . -136.82 148.4 47.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.81999999999999995 109.354 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.896 HG12 HG11 ' A' ' 384' ' ' VAL . 41.8 t -141.19 131.52 26.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 2.7599999999999998 109.3 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 433' ' ' PHE . . . . . 0.464 ' CE1' ' HB3' ' A' ' 441' ' ' TYR . 18.0 p90 -145.72 122.94 11.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.453 1.095 . . . . 3.6699999999999999 110.993 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 434' ' ' TYR . . . . . 0.449 ' O ' HG21 ' A' ' 293' ' ' THR . 69.7 t80 -90.34 100.27 13.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 3.48 111.011 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 435' ' ' SER . . . . . 0.443 ' HB2' HG21 ' A' ' 293' ' ' THR . 37.0 t -141.64 99.51 3.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 3.3399999999999999 110.023 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 436' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt 176.18 -160.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 4.2300000000000004 109.265 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -93.14 -35.19 13.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 6.0899999999999999 109.262 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.47 54.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 3.0099999999999998 109.343 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -144.02 163.42 33.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 2.4199999999999999 110.963 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -128.54 127.69 42.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.077 . . . . 3.4300000000000002 110.943 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 441' ' ' TYR . . . . . 0.464 ' HB3' ' CE1' ' A' ' 433' ' ' PHE . 14.4 m-85 -104.41 150.72 24.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.08 . . . . 2.6400000000000001 110.958 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . 0.418 ' CD1' ' CG2' ' A' ' 425' ' ' ILE . 2.2 m-85 -145.94 142.52 28.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 3.6600000000000001 111.008 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 443' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 464' ' ' SER . 0.2 OUTLIER -116.06 111.97 21.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 3.5800000000000001 110.968 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 444' ' ' GLN . . . . . 0.402 ' O ' ' ND2' ' A' ' 447' ' ' ASN . 2.3 tm0? -130.74 62.07 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 4.0599999999999996 110.269 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 445' ' ' GLY . . . . . 0.431 ' O ' ' ND2' ' A' ' 447' ' ' ASN . . . 90.97 79.36 1.38 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.123 . . . . 2.8700000000000001 110.959 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 1.5 t 42.32 54.69 4.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 2.7799999999999998 110.03 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 447' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 445' ' ' GLY . 59.0 m-20 -144.72 110.75 5.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 2.21 109.292 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.25 77.25 1.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 3.5 110.329 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -81.43 145.68 30.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 2.3399999999999999 110.969 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 458' ' ' ILE . 0.2 OUTLIER -122.64 137.41 54.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 2.9399999999999999 110.257 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 451' ' ' TYR . . . . . 0.415 ' CE2' ' CE1' ' A' ' 422' ' ' PHE . 73.1 t80 -115.16 129.93 56.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 3.8900000000000001 110.978 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 452' ' ' ASP . . . . . 0.402 ' OD1' ' CB ' ' A' ' 454' ' ' LEU . 64.2 t0 -110.32 114.27 27.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 3.4300000000000002 109.267 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -64.75 -18.77 65.35 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 4.79 110.956 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . 0.402 ' CB ' ' OD1' ' A' ' 452' ' ' ASP . 22.6 tp -42.96 -41.55 3.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 3.1400000000000001 109.244 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 456' ' ' GLN . 1.4 pt? -170.16 43.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 2.6400000000000001 109.301 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 456' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 455' ' ' LEU . 14.2 pt20 37.85 64.08 0.72 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.425 1.078 . . . . 5.3799999999999999 110.312 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -125.28 110.44 14.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 3.4199999999999999 110.34 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 458' ' ' ILE . . . . . 0.418 HG23 ' O ' ' A' ' 450' ' ' GLU . 81.3 mt -88.4 94.05 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.066 . . . . 2.0299999999999998 109.376 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 10.6 p -107.17 45.51 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.58 1.175 . . . . 3.1000000000000001 110.427 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 460' ' ' LYS . . . . . 0.663 ' HE2' HD22 ' A' ' 462' ' ' LEU . 0.0 OUTLIER -155.39 74.94 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 3.8199999999999998 109.376 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 461' ' ' THR . . . . . 0.535 HG22 ' O ' ' A' ' 461' ' ' THR . 1.9 m -106.52 75.96 1.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 3.1099999999999999 110.373 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 462' ' ' LEU . . . . . 0.744 HD11 ' CB ' ' A' ' 466' ' ' SER . 1.9 pt? -128.36 -179.73 5.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 2.8199999999999998 109.302 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 463' ' ' LYS . . . . . 0.529 ' N ' ' CD ' ' A' ' 463' ' ' LYS . 0.1 OUTLIER -89.37 169.09 11.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 3.3100000000000001 109.348 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 464' ' ' SER . . . . . 0.571 ' HB2' ' CE1' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -43.67 -28.4 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 2.04 109.969 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 465' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 468' ' ' PHE . 20.9 m120 -38.44 -34.35 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 3.7999999999999998 109.372 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . 0.744 ' CB ' HD11 ' A' ' 462' ' ' LEU . 0.9 OUTLIER -43.09 -47.21 6.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 4.1799999999999997 109.97 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 467' ' ' TRP . . . . . 0.61 ' O ' ' CD1' ' A' ' 468' ' ' PHE . 0.1 OUTLIER -93.23 45.89 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.026 -1.101 . . . . 7.04 108.026 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 468' ' ' PHE . . . . . 0.676 ' CE2' HG21 ' A' ' 316' ' ' THR . 10.9 m-85 -159.35 -41.37 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 6.4100000000000001 110.986 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 109.58 78.18 1.01 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.574 1.171 . . . . 4.21 111.011 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 470' ' ' CYS . . . . . 1.058 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 N-CA-C 108.294 -1.002 . . . . 5.3799999999999999 108.294 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 281' ' ' LEU . . . . . 0.723 HD23 ' CH2' ' A' ' 307' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.297 -0.631 . . . . 2.8100000000000001 109.297 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 282' ' ' CYS . . . . . 1.022 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 0.1 OUTLIER 174.1 -75.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 4.4299999999999997 108.32 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.13 131.12 92.23 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 4.0499999999999998 109.285 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 84.02 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.524 1.802 . . . . 2.3500000000000001 110.991 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -155.09 26.2 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 2.5299999999999998 109.311 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 286' ' ' LEU . . . . . 0.518 HD22 ' CZ3' ' A' ' 307' ' ' TRP . 0.4 OUTLIER -103.14 161.38 13.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.118 . . . . 2.1299999999999999 109.339 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 71.0 m -144.6 162.83 35.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 2.6000000000000001 109.977 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -131.88 157.11 44.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 2.04 110.933 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -98.22 -47.59 5.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 2.7400000000000002 109.262 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -143.76 155.18 44.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.85999999999999999 109.303 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 291' ' ' VAL . . . . . 0.837 HG22 ' HB1' ' A' ' 431' ' ' ALA . 29.4 m -142.24 129.8 20.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.372 1.045 . . . . 2.1400000000000001 109.333 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 6.4 t -155.04 130.21 9.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 1.1699999999999999 110.303 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 10.0 t -110.14 156.99 19.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 2.9100000000000001 110.458 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 24.2 t -140.02 93.5 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 1.8799999999999999 109.297 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 82.23 -115.45 4.02 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 1.8899999999999999 111.0 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -106.49 9.04 31.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 3.46 109.264 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.793 ' HA ' HG23 ' A' ' 310' ' ' VAL . 7.1 tttt -114.66 141.27 48.03 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.567 1.167 . . . . 4.1299999999999999 109.282 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 11.3 mt -119.65 140.48 43.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 2.46 109.266 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 299' ' ' PHE . . . . . 0.558 ' CZ ' ' HG2' ' A' ' 297' ' ' LYS . 35.0 m-85 -128.71 138.64 52.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 2.8599999999999999 111.009 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 300' ' ' PHE . . . . . 0.434 ' O ' ' HA ' ' A' ' 306' ' ' PHE . 24.3 m-85 -131.43 118.39 20.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 2.6499999999999999 111.039 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -89.46 145.35 25.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 2.48 110.927 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -153.92 71.57 0.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 3.04 109.312 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 43.81 85.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 3.1800000000000002 109.328 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 75.89 -56.29 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 7.0800000000000001 110.33 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 305' ' ' PHE . . . . . 0.528 ' CD2' ' HB ' ' A' ' 318' ' ' VAL . 3.2 m-85 -80.06 122.54 26.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 3.0600000000000001 111.041 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 306' ' ' PHE . . . . . 0.694 ' HB3' HD11 ' A' ' 321' ' ' ILE . 52.3 p90 -121.85 137.79 54.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.448 1.092 . . . . 1.79 111.046 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 307' ' ' TRP . . . . . 0.723 ' CH2' HD23 ' A' ' 281' ' ' LEU . 4.2 m0 -89.4 127.69 35.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 5.4100000000000001 107.999 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . 0.417 ' O ' HG22 ' A' ' 316' ' ' THR . 0.3 OUTLIER -115.35 119.07 35.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.078 . . . . 1.76 109.307 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 309' ' ' LYS . . . . . 0.481 ' HB2' HG22 ' A' ' 316' ' ' THR . 6.4 tptt -136.93 90.26 2.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 2.1400000000000001 109.274 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 310' ' ' VAL . . . . . 0.793 HG23 ' HA ' ' A' ' 297' ' ' LYS . 7.7 p -114.11 170.06 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 3.1600000000000001 109.364 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 311' ' ' SER . . . . . 0.505 ' H ' HG22 ' A' ' 310' ' ' VAL . 0.6 OUTLIER -58.5 139.32 55.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 4.9900000000000002 110.004 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 70.39 33.13 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 4.71 110.276 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -106.41 131.3 21.83 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 5.5499999999999998 110.303 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -43.23 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.482 1.78 . . . . 2.4100000000000001 110.991 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.03 172.25 17.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.09 . . . . 3.3700000000000001 109.333 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . 0.569 HG21 ' HD1' ' A' ' 468' ' ' PHE . 32.6 p -95.04 131.33 41.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 1.5600000000000001 110.435 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.47 176.46 6.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 2.1000000000000001 109.945 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 318' ' ' VAL . . . . . 0.528 ' HB ' ' CD2' ' A' ' 305' ' ' PHE . 0.7 OUTLIER -142.1 60.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 2.4900000000000002 109.252 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 319' ' ' ASN . . . . . 0.436 ' O ' ' CD1' ' A' ' 306' ' ' PHE . 0.8 OUTLIER -94.41 174.23 7.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 2.4399999999999999 109.274 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.658 HD23 ' H ' ' A' ' 320' ' ' LEU . 0.9 OUTLIER -88.94 141.12 28.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 4.2599999999999998 109.365 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 321' ' ' ILE . . . . . 0.694 HD11 ' HB3' ' A' ' 306' ' ' PHE . 2.5 mt -70.16 -50.23 48.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 1.8700000000000001 109.236 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 322' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 324' ' ' LEU . 0.5 OUTLIER -38.2 -37.61 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 2.4199999999999999 109.988 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 13.0 t -41.31 -27.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 2.9900000000000002 109.987 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 322' ' ' SER . 3.2 mp -113.45 -73.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 2.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 325' ' ' TRP . . . . . 0.619 ' CH2' HD21 ' A' ' 346' ' ' LEU . 5.2 m0 -51.84 139.59 31.35 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 2.3500000000000001 108.024 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 326' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 325' ' ' TRP . 18.2 Cg_endo -74.98 -87.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.512 1.796 . . . . 1.5900000000000001 111.017 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 327' ' ' THR . . . . . 0.838 ' O ' HD22 ' A' ' 328' ' ' LEU . 1.4 t -97.75 89.58 4.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 1.98 110.443 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 328' ' ' LEU . . . . . 0.838 HD22 ' O ' ' A' ' 327' ' ' THR . 3.7 mm? -140.95 162.28 49.26 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 1.8700000000000001 109.293 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 329' ' ' PRO . . . . . 0.435 ' O ' ' CB ' ' A' ' 330' ' ' SER . 18.3 Cg_endo -75.0 -41.78 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.555 1.819 . . . . 3.1200000000000001 110.997 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 330' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 329' ' ' PRO . 0.9 OUTLIER 80.07 1.1 2.05 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.553 1.158 . . . . 5.1100000000000003 110.022 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -140.3 57.29 0.6 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.517 1.135 . . . . 1.76 110.973 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.586 HD13 HD12 ' A' ' 346' ' ' LEU . 1.5 mp -70.15 149.27 10.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.441 0.73 . . . . 1.75 109.301 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -106.36 -21.29 13.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.587 1.179 . . . . 3.52 110.326 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -141.61 111.58 6.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.88 109.299 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -120.59 136.52 54.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.92000000000000004 109.34 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 336' ' ' TYR . . . . . 0.515 ' C ' ' CD1' ' A' ' 336' ' ' TYR . 0.0 OUTLIER -127.5 171.97 11.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 3.6000000000000001 110.941 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 337' ' ' GLU . . . . . 0.904 ' OE1' HG22 ' A' ' 344' ' ' VAL . 50.5 tp10 -147.49 159.75 43.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 3.5 110.343 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 338' ' ' ILE . . . . . 0.642 HG23 ' O ' ' A' ' 338' ' ' ILE . 1.3 tt -152.1 100.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 3.4500000000000002 109.334 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.31 -14.74 62.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 2.7999999999999998 110.323 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -69.27 -50.92 42.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 2.5699999999999998 109.284 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 341' ' ' ARG . . . . . 0.466 ' O ' ' CB ' ' A' ' 342' ' ' ASN . 14.3 mtp180 -89.57 -32.24 17.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 3.46 110.301 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 342' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 341' ' ' ARG . 0.5 OUTLIER 79.37 52.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 2.7999999999999998 109.253 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.18 148.17 39.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 4.4400000000000004 110.327 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 344' ' ' VAL . . . . . 0.904 HG22 ' OE1' ' A' ' 337' ' ' GLU . 23.3 t -116.09 139.46 42.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 1.8 109.252 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 345' ' ' PHE . . . . . 0.403 ' HB2' ' CD1' ' A' ' 336' ' ' TYR . 0.0 OUTLIER -122.58 137.86 54.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 3.71 110.955 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.619 HD21 ' CH2' ' A' ' 325' ' ' TRP . 2.5 mm? -118.11 131.23 56.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 1.46 109.288 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -109.73 140.07 44.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.09 . . . . 2.5699999999999998 111.021 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 348' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.1 OUTLIER -160.48 111.11 1.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 4.4199999999999999 109.368 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 3.1 t0 57.51 -150.4 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 3.0299999999999998 109.349 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 350' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 38.6 p-10 -84.78 41.26 0.85 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 3.1899999999999999 109.219 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.409 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 10.8 mttp -156.43 141.53 17.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 1.6499999999999999 109.335 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 352' ' ' TYR . . . . . 0.669 ' CD1' HG23 ' A' ' 368' ' ' ILE . 43.7 p90 -146.96 123.92 11.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.423 1.077 . . . . 2.8300000000000001 111.019 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 353' ' ' TRP . . . . . 0.435 ' CZ3' ' O ' ' A' ' 361' ' ' GLU . 31.4 m95 -92.05 158.63 16.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 5.9199999999999999 107.979 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 354' ' ' LEU . . . . . 0.762 ' C ' HD12 ' A' ' 354' ' ' LEU . 0.0 OUTLIER -118.9 117.22 28.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 1.77 109.288 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.541 HD13 HD23 ' A' ' 346' ' ' LEU . 2.7 mp -91.37 107.94 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 1.3600000000000001 109.281 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 18.3 t -87.59 98.6 11.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 1.7 109.973 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 73.93 -63.68 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 3.5499999999999998 109.362 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -165.97 30.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 3.3999999999999999 109.295 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 1.5 tpt85 -148.21 115.73 3.99 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 5.04 110.26 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 360' ' ' PRO . . . . . 0.49 ' HA ' ' O ' ' A' ' 354' ' ' LEU . 18.2 Cg_endo -75.01 137.78 22.15 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.558 1.82 . . . . 1.5 111.021 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 361' ' ' GLU . . . . . 0.435 ' O ' ' CZ3' ' A' ' 353' ' ' TRP . 16.6 mm-40 -56.99 122.2 51.38 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 2.3199999999999998 110.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.23 15.22 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 2.1200000000000001 110.984 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 363' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 62.73 61.4 1.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 4.4100000000000001 109.309 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 364' ' ' TYR . . . . . 0.522 ' N ' ' HD3' ' A' ' 365' ' ' PRO . 2.6 t80 -135.75 57.46 19.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 3.6099999999999999 111.053 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 365' ' ' PRO . . . . . 0.522 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -74.98 49.4 2.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 1.4299999999999999 110.999 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 366' ' ' LYS . . . . . 0.436 ' CB ' ' CZ ' ' A' ' 352' ' ' TYR . 7.2 mmpt? -51.82 153.89 2.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 2.2000000000000002 109.251 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 367' ' ' SER . . . . . 0.574 ' HB3' ' CE1' ' A' ' 369' ' ' HIS . 18.4 m -122.61 120.95 35.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 1.78 110.042 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 368' ' ' ILE . . . . . 0.669 HG23 ' CD1' ' A' ' 352' ' ' TYR . 8.4 pt -60.52 -31.43 48.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 1.97 109.276 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 369' ' ' HIS . . . . . 0.574 ' CE1' ' HB3' ' A' ' 367' ' ' SER . 3.4 p-80 -68.15 -29.66 68.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 4.1699999999999999 109.677 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 29.1 t -68.62 -7.81 36.36 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.541 1.15 . . . . 2.5299999999999998 109.967 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -99.64 36.32 1.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 5.0499999999999998 111.078 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . 121.04 -69.99 0.4 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.485 1.115 . . . . 3.7999999999999998 110.986 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 373' ' ' PHE . . . . . 0.565 ' O ' ' CD2' ' A' ' 373' ' ' PHE . 3.4 t80 58.16 102.72 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.439 0.729 . . . . 5.0800000000000001 110.963 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 374' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -78.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 2.9399999999999999 111.006 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 375' ' ' ASN . . . . . 0.496 ' ND2' ' H ' ' A' ' 376' ' ' PHE . 0.4 OUTLIER -122.61 -75.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 6.6299999999999999 109.308 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 376' ' ' PHE . . . . . 0.496 ' H ' ' ND2' ' A' ' 375' ' ' ASN . 1.6 t80 -126.91 82.57 2.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 7.6100000000000003 110.961 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 377' ' ' VAL . . . . . . . . . . . . . 87.5 t -126.11 80.54 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 2.5699999999999998 109.351 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.05 -0.44 10.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 3.6499999999999999 109.335 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.19 127.1 7.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 3.3999999999999999 109.312 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 9.0 mt -98.46 150.15 5.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 1.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.89 -47.04 13.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 1.9199999999999999 109.299 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 382' ' ' ALA . . . . . 0.774 ' HB1' HG22 ' A' ' 432' ' ' VAL . . . -153.39 158.12 40.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.81000000000000005 109.26 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -150.74 120.38 6.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.85999999999999999 109.346 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . 0.766 ' HB ' HG23 ' A' ' 432' ' ' VAL . 9.0 p -140.29 157.06 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.374 1.047 . . . . 2.0800000000000001 109.28 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 385' ' ' PHE . . . . . 0.427 ' CD1' HD12 ' A' ' 338' ' ' ILE . 51.8 t80 -98.42 153.43 18.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 2.0899999999999999 111.021 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 386' ' ' ASN . . . . . 0.431 ' ND2' ' CE1' ' A' ' 393' ' ' TYR . 0.3 OUTLIER -113.46 120.87 38.85 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 2.8599999999999999 109.322 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -44.38 0.34 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 2.5 111.009 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 1.3 tpt85 -84.39 44.06 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 2.6499999999999999 110.3 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 389' ' ' PHE . . . . . 0.589 ' C ' ' CG ' ' A' ' 390' ' ' TYR . 0.1 OUTLIER -171.07 -36.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 2.75 110.986 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 390' ' ' TYR . . . . . 0.589 ' CG ' ' C ' ' A' ' 389' ' ' PHE . 1.9 m-85 73.01 30.07 1.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 2.8700000000000001 110.992 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 10.6 mtt85 -133.92 154.29 51.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 3.1099999999999999 110.3 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 392' ' ' THR . . . . . 0.647 HG22 ' H ' ' A' ' 393' ' ' TYR . 20.7 m -86.35 179.4 6.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 1.55 110.406 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . 0.647 ' H ' HG22 ' A' ' 392' ' ' THR . 7.5 m-85 -136.41 113.13 10.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 1.78 110.984 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -99.4 103.65 15.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 3.1099999999999999 111.017 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 395' ' ' PHE . . . . . 0.474 ' CG ' HG21 ' A' ' 429' ' ' ILE . 18.5 m-85 -101.74 112.22 24.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 1.47 111.024 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 396' ' ' VAL . . . . . 0.869 HG22 ' OD1' ' A' ' 397' ' ' ASP . 3.9 p -138.85 130.94 37.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.39 1.056 . . . . 2.7400000000000002 109.281 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 397' ' ' ASP . . . . . 0.869 ' OD1' HG22 ' A' ' 396' ' ' VAL . 0.1 OUTLIER 55.7 -152.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 3.25 109.284 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 398' ' ' ASN . 34.1 t30 -87.97 50.31 1.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 3.7599999999999998 109.311 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 399' ' ' GLN . . . . . 0.449 ' HB3' ' CZ3' ' A' ' 401' ' ' TRP . 0.2 OUTLIER -150.18 167.02 28.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 2.52 110.303 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 400' ' ' TYR . . . . . 0.453 ' CE1' ' O ' ' A' ' 401' ' ' TRP . 0.6 OUTLIER -143.39 120.08 11.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 2.7200000000000002 110.976 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 401' ' ' TRP . . . . . 0.453 ' O ' ' CE1' ' A' ' 400' ' ' TYR . 11.6 m-90 -108.84 179.49 4.16 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.943 -1.132 . . . . 5.0599999999999996 107.943 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 402' ' ' ARG . . . . . 0.41 ' NH1' ' CD2' ' A' ' 389' ' ' PHE . 1.3 tpp180 -145.31 127.31 15.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.581 1.176 . . . . 4.1200000000000001 110.259 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -119.0 129.64 55.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 5.1299999999999999 111.016 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.39 128.5 35.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 3.0099999999999998 109.278 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -86.22 -50.63 6.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.599 1.187 . . . . 4.1799999999999997 110.329 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -61.36 -56.64 18.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 10.449999999999999 110.233 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -67.23 -38.75 85.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 4.0599999999999996 110.3 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 70.5 49.77 0.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 5.1900000000000004 110.34 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 4.6 tpt -149.81 100.73 2.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 2.3199999999999998 111.071 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.17 140.04 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 2.1400000000000001 110.97 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.88 158.68 85.46 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 4.3300000000000001 109.261 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 412' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -75.01 134.46 17.82 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.463 1.77 . . . . 3.5800000000000001 111.039 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 43.37 -92.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.424 1.077 . . . . 3.1899999999999999 110.974 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 414' ' ' TYR . . . . . 0.587 ' N ' ' HD3' ' A' ' 415' ' ' PRO . 0.1 OUTLIER 63.79 53.89 1.57 Allowed Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.517 0.775 . . . . 3.4300000000000002 111.037 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 415' ' ' PRO . . . . . 0.587 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.4 Cg_endo -74.89 60.34 5.33 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.524 1.802 . . . . 2.8199999999999998 111.032 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt -92.45 177.14 6.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 6.6500000000000004 109.265 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.26 163.44 20.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 2.77 109.29 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 418' ' ' ILE . . . . . 0.435 HD11 ' N ' ' A' ' 399' ' ' GLN . 2.8 mp -70.18 -56.39 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 1.3 109.281 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 419' ' ' THR . . . . . 0.495 HG23 ' N ' ' A' ' 420' ' ' LYS . 3.9 t -57.12 -54.11 50.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 1.6699999999999999 110.414 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . 0.495 ' N ' HG23 ' A' ' 419' ' ' THR . 1.1 mttt -40.59 -52.42 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 3.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -70.58 -62.97 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 2.9900000000000002 109.323 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 422' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -118.93 80.97 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 2.7799999999999998 111.022 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 423' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 419' ' ' THR . 0.0 OUTLIER -87.2 66.84 9.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 3.3100000000000001 110.321 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -118.72 -18.36 4.82 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.5 1.125 . . . . 1.6799999999999999 111.023 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 425' ' ' ILE . . . . . 0.737 HD13 ' N ' ' A' ' 425' ' ' ILE . 0.2 OUTLIER -126.41 -43.38 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 3.6200000000000001 109.298 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 426' ' ' GLY . . . . . 0.444 ' C ' ' H ' ' A' ' 428' ' ' LYS . . . 152.09 175.35 23.65 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.458 1.099 . . . . 1.0700000000000001 111.032 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . 0.46 ' HB3' ' CG2' ' A' ' 419' ' ' THR . 18.1 Cg_endo -75.07 40.97 0.7 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.45 1.763 . . . . 1.9099999999999999 110.916 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' A' ' 426' ' ' GLY . 0.0 OUTLIER -159.72 141.07 12.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 2.7400000000000002 109.311 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 429' ' ' ILE . . . . . 0.488 ' CD1' ' HB3' ' A' ' 442' ' ' PHE . 7.5 tp -133.88 154.28 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 1.8600000000000001 109.351 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -117.91 -60.01 1.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 2.8199999999999998 109.279 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 431' ' ' ALA . . . . . 0.837 ' HB1' HG22 ' A' ' 291' ' ' VAL . . . -137.21 146.41 44.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.77000000000000002 109.268 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.774 HG22 ' HB1' ' A' ' 382' ' ' ALA . 29.3 m -149.63 138.81 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 2.79 109.274 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 433' ' ' PHE . . . . . 0.684 ' HB3' HG23 ' A' ' 291' ' ' VAL . 1.5 p90 -155.0 146.18 22.81 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 2.7599999999999998 111.019 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -97.62 106.56 18.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 3.98 110.998 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 435' ' ' SER . . . . . 0.547 ' HB3' ' CE2' ' A' ' 433' ' ' PHE . 98.5 p -116.39 -36.09 4.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 2.9399999999999999 110.0 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 436' ' ' LYS . . . . . 0.411 ' CB ' ' HB2' ' A' ' 439' ' ' TYR . 3.5 mmmt -62.0 -169.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 4.5300000000000002 109.318 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -91.35 -46.39 8.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 4.8799999999999999 109.326 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 438' ' ' LYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 438' ' ' LYS . 0.0 OUTLIER -146.67 58.08 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 4.2599999999999998 109.284 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 439' ' ' TYR . . . . . 0.504 ' CD1' ' OE2' ' A' ' 450' ' ' GLU . 89.1 m-85 -152.46 166.61 31.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.576 1.172 . . . . 2.4199999999999999 111.022 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -128.94 132.26 47.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 3.2999999999999998 111.039 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 441' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -102.47 123.65 46.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 2.1400000000000001 111.032 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . 0.488 ' HB3' ' CD1' ' A' ' 429' ' ' ILE . 15.1 m-85 -123.32 146.1 48.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 3.5499999999999998 110.999 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 443' ' ' PHE . . . . . 0.552 ' C ' ' CD1' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -148.75 144.44 27.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 5.7599999999999998 110.973 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -153.84 85.61 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.077 . . . . 4.8399999999999999 110.322 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 124.19 -89.8 0.4 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.141 . . . . 2.1200000000000001 111.0 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.8 43.99 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 2.71 109.978 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -154.6 144.8 21.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 2.5499999999999998 109.275 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -127.22 95.98 4.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 3.96 110.293 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 449' ' ' PHE . . . . . 0.482 ' HB2' ' CG2' ' A' ' 425' ' ' ILE . 3.8 m-85 -88.64 162.22 16.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 2.4500000000000002 111.003 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 0.504 ' OE2' ' CD1' ' A' ' 439' ' ' TYR . 45.1 tt0 -123.45 143.94 49.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 2.77 110.307 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -115.08 153.13 31.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 2.9100000000000001 111.029 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -141.3 127.82 20.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 3.2400000000000002 109.305 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 454' ' ' LEU . 25.6 t80 -64.22 -15.95 61.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 3.6499999999999999 110.904 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 453' ' ' PHE . 6.6 tp -39.6 -48.14 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 2.7400000000000002 109.318 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.472 HD13 ' HG3' ' A' ' 457' ' ' ARG . 0.3 OUTLIER -171.88 37.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 3.21 109.334 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 46.85 74.0 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 3.3399999999999999 110.282 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 457' ' ' ARG . . . . . 0.472 ' HG3' HD13 ' A' ' 455' ' ' LEU . 0.0 OUTLIER -139.81 176.18 8.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 4.3799999999999999 110.297 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 1.1 mp -112.87 122.24 66.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 1.75 109.32 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 45.4 p -95.74 -55.83 2.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 3.98 110.39 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.02 157.48 24.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.592 1.183 . . . . 5.5700000000000003 109.274 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 461' ' ' THR . . . . . 0.614 ' C ' HD13 ' A' ' 462' ' ' LEU . 3.2 m -152.86 113.83 4.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 2.7799999999999998 110.376 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 462' ' ' LEU . . . . . 0.614 HD13 ' C ' ' A' ' 461' ' ' THR . 0.3 OUTLIER -102.1 169.79 8.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 2.6099999999999999 109.277 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.79 59.2 1.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.092 . . . . 3.3799999999999999 109.315 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 59.8 p 42.64 36.07 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 2.9199999999999999 110.032 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -175.93 54.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 2.7999999999999998 109.408 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . 0.594 ' O ' ' CD1' ' A' ' 467' ' ' TRP . 3.6 m -112.78 -17.23 12.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 2.6400000000000001 110.039 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 467' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 466' ' ' SER . 9.5 m0 -145.41 68.19 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 6.3300000000000001 108.026 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 468' ' ' PHE . . . . . 0.569 ' HD1' HG21 ' A' ' 316' ' ' THR . 88.0 m-85 -162.35 -66.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 7.3300000000000001 111.023 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -132.25 -46.84 0.12 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 2.54 110.976 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 470' ' ' CYS . . . . . 1.022 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 39.6 m . . . . . 0 C--N 1.325 -0.463 0 N-CA-C 108.301 -1.0 . . . . 4.25 108.301 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 281' ' ' LEU . . . . . 0.413 ' HG ' ' CE2' ' A' ' 468' ' ' PHE . 1.9 mm? . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.29 -0.633 . . . . 3.75 109.29 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 282' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.42 60.13 3.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 4.2699999999999996 108.277 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -178.94 111.43 0.21 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 4.6500000000000004 109.301 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 90.64 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.557 1.819 . . . . 1.95 110.969 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 285' ' ' ASN . . . . . 0.483 HD22 ' N ' ' A' ' 285' ' ' ASN . 0.1 OUTLIER -170.57 48.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 3.9300000000000002 109.354 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 286' ' ' LEU . . . . . 0.522 HD23 ' N ' ' A' ' 287' ' ' SER . 6.5 tt -113.03 163.68 14.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 3.2000000000000002 109.362 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 287' ' ' SER . . . . . 0.522 ' N ' HD23 ' A' ' 286' ' ' LEU . 54.4 p -142.93 163.18 33.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 2.0899999999999999 110.0 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -124.49 176.99 6.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 2.04 111.049 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.46 -48.74 0.9 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.103 . . . . 3.3199999999999998 109.299 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -137.58 147.91 45.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 1.05 109.254 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 291' ' ' VAL . . . . . 0.742 HG22 ' HB1' ' A' ' 431' ' ' ALA . 28.1 m -147.24 140.91 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 2.2799999999999998 109.334 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -151.04 156.83 41.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 1.3799999999999999 110.383 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 293' ' ' THR . . . . . 0.633 HG21 ' CB ' ' A' ' 435' ' ' SER . 8.8 t -121.59 141.0 51.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 2.5499999999999998 110.426 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 87.3 t -128.11 122.0 57.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 2.1200000000000001 109.338 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 57.35 -118.27 12.05 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 1.6899999999999999 110.944 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 296' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 296' ' ' ASN . 7.7 t30 -109.52 23.29 14.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 4.29 109.343 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.888 ' HA ' HG21 ' A' ' 310' ' ' VAL . 18.3 mtmm -131.03 165.56 22.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.073 . . . . 3.96 109.292 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 298' ' ' ILE . . . . . 0.927 HD12 HG23 ' A' ' 310' ' ' VAL . 5.7 mt -124.39 135.72 62.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 2.8799999999999999 109.27 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 299' ' ' PHE . . . . . 0.469 ' CZ ' HD11 ' A' ' 308' ' ' LEU . 8.1 m-85 -133.35 97.85 4.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 3.5 111.031 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 300' ' ' PHE . . . . . 0.429 ' O ' ' HB2' ' A' ' 306' ' ' PHE . 26.3 m-85 -80.8 156.99 25.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 2.8700000000000001 111.04 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 301' ' ' PHE . . . . . 0.492 ' HB3' HD13 ' A' ' 332' ' ' ILE . 9.3 m-85 -131.17 157.91 41.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 3.3700000000000001 111.01 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 302' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 305' ' ' PHE . 0.0 OUTLIER -165.14 143.12 6.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 4.0499999999999998 109.305 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 303' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 304' ' ' ARG . 3.7 t0 -42.3 144.69 0.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.592 1.182 . . . . 4.4400000000000004 109.295 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 304' ' ' ARG . . . . . 0.752 ' O ' HD12 ' A' ' 320' ' ' LEU . 0.0 OUTLIER 68.86 -72.14 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 6.5999999999999996 110.363 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 305' ' ' PHE . . . . . 0.491 ' O ' ' O ' ' A' ' 302' ' ' LYS . 7.2 m-85 -127.43 159.1 35.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 2.7200000000000002 110.988 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 306' ' ' PHE . . . . . 0.44 ' CB ' ' HA ' ' A' ' 301' ' ' PHE . 8.8 p90 -119.73 176.09 5.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 2.1299999999999999 110.981 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 307' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -127.4 162.47 26.25 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.552 1.158 . . . . 4.6100000000000003 108.038 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . 0.71 HD23 ' N ' ' A' ' 309' ' ' LYS . 3.1 tt -153.79 122.81 6.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 3.8700000000000001 109.278 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 309' ' ' LYS . . . . . 0.71 ' N ' HD23 ' A' ' 308' ' ' LEU . 3.4 tptt -152.35 117.05 5.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 2.9100000000000001 109.291 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 310' ' ' VAL . . . . . 0.927 HG23 HD12 ' A' ' 298' ' ' ILE . 2.4 p -140.17 -173.29 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 4.3600000000000003 109.251 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 311' ' ' SER . . . . . 0.726 ' H ' HG22 ' A' ' 310' ' ' VAL . 4.8 m -66.47 141.05 58.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 7.8799999999999999 110.018 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 72.19 28.24 2.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 6.2800000000000002 110.332 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 313' ' ' ARG . . . . . 0.406 ' NH2' ' HB2' ' A' ' 317' ' ' SER . 8.3 tpt180 -106.5 116.24 59.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 4.6799999999999997 110.289 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -21.67 15.64 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 2.4199999999999999 111.031 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -169.88 159.92 8.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 4.3300000000000001 109.329 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . 0.475 HG22 ' HD2' ' A' ' 309' ' ' LYS . 10.3 p -81.45 127.32 32.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 1.6399999999999999 110.411 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 317' ' ' SER . . . . . 0.406 ' HB2' ' NH2' ' A' ' 313' ' ' ARG . 0.5 OUTLIER -89.5 98.95 12.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 2.3599999999999999 109.997 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 74.3 t -91.25 122.78 43.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 3.0499999999999998 109.309 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 319' ' ' ASN . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 306' ' ' PHE . 2.9 m120 -142.05 179.55 6.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 2.29 109.331 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.752 HD12 ' O ' ' A' ' 304' ' ' ARG . 12.4 tp -98.83 152.78 19.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 2.21 109.316 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 321' ' ' ILE . . . . . 0.516 HG22 ' N ' ' A' ' 322' ' ' SER . 0.7 OUTLIER -66.24 -65.83 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.426 1.079 . . . . 1.3200000000000001 109.327 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 322' ' ' SER . . . . . 0.516 ' N ' HG22 ' A' ' 321' ' ' ILE . 0.2 OUTLIER -39.9 -49.58 2.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 1.9399999999999999 109.962 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 1.1 m -41.27 -37.54 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 1.6599999999999999 109.988 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 321' ' ' ILE . 1.4 mt -102.24 -83.18 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 2.3399999999999999 109.322 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -51.24 152.62 4.04 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 2.0899999999999999 108.004 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 326' ' ' PRO . . . . . 0.465 ' HG2' ' CG ' ' A' ' 360' ' ' PRO . 18.5 Cg_endo -74.98 -82.32 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.458 1.767 . . . . 1.1399999999999999 111.035 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 327' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 327' ' ' THR . 2.2 t -126.4 98.73 5.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 1.9199999999999999 110.367 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 328' ' ' LEU . . . . . 0.462 HD13 ' CD ' ' A' ' 329' ' ' PRO . 0.6 OUTLIER -115.41 162.15 26.26 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 1.78 109.311 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 329' ' ' PRO . . . . . 0.462 ' CD ' HD13 ' A' ' 328' ' ' LEU . 18.3 Cg_endo -74.98 -3.01 13.29 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.507 1.793 . . . . 3.5699999999999998 111.03 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 330' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 331' ' ' GLY . 0.8 OUTLIER 50.19 -155.23 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 3.1499999999999999 109.993 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 330' ' ' SER . . . 32.15 41.07 0.08 OUTLIER Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.55 1.156 . . . . 1.6899999999999999 110.984 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.492 HD13 ' HB3' ' A' ' 301' ' ' PHE . 2.1 mp -50.67 124.05 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.58 0.812 . . . . 1.98 109.327 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.09 -41.61 9.86 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.593 1.183 . . . . 2.9300000000000002 110.308 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -150.28 136.87 19.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 1.2 109.313 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -127.35 133.75 50.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 1.1599999999999999 109.344 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 336' ' ' TYR . . . . . 0.542 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 7.3 p90 -151.36 123.43 8.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 3.1200000000000001 111.007 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 337' ' ' GLU . . . . . 0.59 ' HB3' HG12 ' A' ' 344' ' ' VAL . 2.7 pt-20 -117.99 154.44 31.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 3.7999999999999998 110.291 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 338' ' ' ILE . . . . . 0.843 HD11 ' HB3' ' A' ' 385' ' ' PHE . 27.2 mm -126.64 98.34 4.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 3.79 109.288 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -46.47 -28.27 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 4.21 110.328 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 340' ' ' ALA . . . . . 0.532 ' HB3' HG22 ' A' ' 338' ' ' ILE . . . -61.09 -40.72 94.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 1.8899999999999999 109.312 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.66 -10.38 37.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 3.54 110.3 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 2.1 t30 53.39 42.49 32.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 2.4100000000000001 109.304 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . 0.454 ' NE2' HD11 ' A' ' 354' ' ' LEU . 36.1 mt-30 -134.88 178.52 6.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 2.71 110.276 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 344' ' ' VAL . . . . . 0.59 HG12 ' HB3' ' A' ' 337' ' ' GLU . 15.3 m -142.94 167.59 14.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 2.9500000000000002 109.282 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 345' ' ' PHE . . . . . 0.648 ' C ' HD22 ' A' ' 346' ' ' LEU . 77.9 m-85 -152.36 138.59 18.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 3.2200000000000002 111.011 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.742 HD23 HD13 ' A' ' 355' ' ' ILE . 2.2 mm? -124.14 122.13 37.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 1.78 109.397 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 347' ' ' PHE . . . . . 0.452 ' CD2' HD13 ' A' ' 380' ' ' ILE . 11.2 m-30 -95.84 143.74 26.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 3.1499999999999999 111.029 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 348' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 351' ' ' LYS . 45.7 tptt -165.04 114.46 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 3.5499999999999998 109.267 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.5 t70 58.81 -150.63 0.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 3.2799999999999998 109.258 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 350' ' ' ASP . . . . . 0.446 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 1.4 p-10 -87.65 40.56 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 2.8100000000000001 109.306 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 4.2 mtmp? -156.57 148.54 22.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 2.1600000000000001 109.287 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 352' ' ' TYR . . . . . 0.6 ' CD1' HG23 ' A' ' 368' ' ' ILE . 32.5 p90 -145.42 132.19 20.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 2.54 111.003 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 353' ' ' TRP . . . . . 0.517 ' CZ3' ' O ' ' A' ' 361' ' ' GLU . 11.1 m95 -89.87 174.0 7.93 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.99 -1.115 . . . . 6.0 107.99 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 354' ' ' LEU . . . . . 0.516 HD13 ' CE1' ' A' ' 345' ' ' PHE . 1.7 tp -135.41 114.58 12.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 1.78 109.326 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.742 HD13 HD23 ' A' ' 346' ' ' LEU . 1.9 mp -104.3 118.16 51.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 1.53 109.32 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 356' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 358' ' ' LEU . 90.7 p -101.55 101.39 11.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 2.3900000000000001 110.005 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 69.49 -62.38 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.08 . . . . 4.1500000000000004 109.337 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 358' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 356' ' ' SER . 1.8 tp -172.11 73.32 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 4.4100000000000001 109.282 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 175.16 106.54 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 4.1500000000000004 110.31 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 360' ' ' PRO . . . . . 0.465 ' CG ' ' HG2' ' A' ' 326' ' ' PRO . 18.0 Cg_endo -75.06 117.78 5.02 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.502 1.791 . . . . 1.8999999999999999 110.98 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 361' ' ' GLU . . . . . 0.517 ' O ' ' CZ3' ' A' ' 353' ' ' TRP . 3.5 mm-40 -40.62 123.94 1.85 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 2.1800000000000002 110.3 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 129.46 12.36 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.594 1.839 . . . . 1.78 111.004 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 363' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 61.02 62.81 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 3.6899999999999999 109.261 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 364' ' ' TYR . . . . . 0.576 ' CD1' ' HE3' ' A' ' 366' ' ' LYS . 0.5 OUTLIER -136.08 55.56 12.25 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 3.0299999999999998 111.002 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 365' ' ' PRO . . . . . 0.565 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -74.94 51.72 2.84 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 1.24 111.001 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 366' ' ' LYS . . . . . 0.576 ' HE3' ' CD1' ' A' ' 364' ' ' TYR . 0.1 OUTLIER -54.79 156.96 3.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 1.6499999999999999 109.302 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 367' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 370' ' ' SER . 0.7 OUTLIER -119.95 118.41 30.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 2.5099999999999998 110.016 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 368' ' ' ILE . . . . . 0.6 HG23 ' CD1' ' A' ' 352' ' ' TYR . 1.2 pt -51.25 -37.99 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 1.8999999999999999 109.324 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 369' ' ' HIS . . . . . 0.554 ' C ' ' CD2' ' A' ' 369' ' ' HIS . 0.1 OUTLIER -62.68 -15.13 51.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 4.6100000000000003 109.584 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 370' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 367' ' ' SER . 17.7 t -64.54 -10.46 26.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 2.4300000000000002 109.982 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 371' ' ' PHE . . . . . 0.525 ' CD2' ' O ' ' A' ' 371' ' ' PHE . 5.0 p90 -152.03 29.53 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 7.7000000000000002 111.012 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 372' ' ' GLY . . . . . 0.526 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -142.44 -49.11 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.136 . . . . 3.1099999999999999 110.967 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 373' ' ' PHE . . . . . 0.643 ' O ' ' CD2' ' A' ' 373' ' ' PHE . 17.6 p90 27.33 59.27 0.56 Allowed Pre-proline 0 C--N 1.323 -0.557 0 O-C-N 124.474 0.749 . . . . 9.6400000000000006 110.973 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 374' ' ' PRO . . . . . 0.54 ' HB2' ' CZ2' ' A' ' 401' ' ' TRP . 18.5 Cg_endo -74.97 -4.61 15.66 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.526 1.803 . . . . 3.6000000000000001 111.039 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 64.18 30.57 13.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 5.3799999999999999 109.248 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 2.6 t80 178.61 50.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 5.9100000000000001 111.027 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 377' ' ' VAL . . . . . 0.409 HG21 HD12 ' A' ' 368' ' ' ILE . 0.4 OUTLIER -104.23 161.18 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 3.21 109.299 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.54 -39.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 3.8300000000000001 109.326 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -162.7 136.54 6.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 3.5099999999999998 109.292 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 380' ' ' ILE . . . . . 0.655 ' HA ' HG22 ' A' ' 396' ' ' VAL . 6.4 mt -93.73 149.46 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 1.28 109.274 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 381' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 429' ' ' ILE . 0.8 OUTLIER -89.12 -50.78 5.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 2.1800000000000002 109.336 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 382' ' ' ALA . . . . . 0.679 ' HB1' HG12 ' A' ' 432' ' ' VAL . . . -155.4 166.39 33.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.588 1.18 . . . . 0.93000000000000005 109.223 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -156.67 120.98 4.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.79000000000000004 109.302 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . 0.716 ' O ' HG23 ' A' ' 392' ' ' THR . 2.1 t -128.24 145.39 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 2.4500000000000002 109.236 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 385' ' ' PHE . . . . . 0.843 ' HB3' HD11 ' A' ' 338' ' ' ILE . 0.1 OUTLIER -104.4 127.97 52.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 5.0 111.029 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -115.0 104.72 53.81 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 2.3900000000000001 109.321 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -12.06 21.36 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.465 1.771 . . . . 2.96 111.016 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.22 -30.61 34.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 2.8100000000000001 110.289 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -117.36 14.03 14.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 3.3100000000000001 111.011 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 390' ' ' TYR . . . . . 0.52 ' O ' ' CB ' ' A' ' 405' ' ' GLU . 28.1 m-85 38.84 45.97 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 3.2799999999999998 110.978 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 391' ' ' ARG . . . . . 0.502 ' CG ' ' N ' ' A' ' 392' ' ' THR . 17.8 ttt-85 -149.16 159.06 44.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 8.9100000000000001 110.307 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 392' ' ' THR . . . . . 0.716 HG23 ' O ' ' A' ' 384' ' ' VAL . 7.1 m -119.55 129.72 54.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.70999999999999996 110.393 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . 0.447 ' HB3' ' CE1' ' A' ' 395' ' ' PHE . 70.9 m-85 -79.28 100.56 7.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 1.72 110.999 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -91.21 101.33 14.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 2.1400000000000001 111.01 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 395' ' ' PHE . . . . . 0.447 ' CE1' ' HB3' ' A' ' 393' ' ' TYR . 94.3 m-85 -90.1 117.73 29.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 1.3999999999999999 110.985 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 396' ' ' VAL . . . . . 0.684 HG21 ' CZ3' ' A' ' 401' ' ' TRP . 51.0 t -137.16 128.84 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 1.99 109.244 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 56.15 -149.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 3.1499999999999999 109.346 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -88.2 40.0 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 2.9399999999999999 109.327 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 399' ' ' GLN . . . . . 0.751 ' O ' HD11 ' A' ' 418' ' ' ILE . 54.9 mt-30 -150.23 176.65 10.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 2.1299999999999999 110.297 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 400' ' ' TYR . . . . . 0.614 ' O ' ' CD1' ' A' ' 400' ' ' TYR . 16.5 p90 -136.27 129.13 31.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 6.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 401' ' ' TRP . . . . . 0.684 ' CZ3' HG21 ' A' ' 396' ' ' VAL . 15.8 m0 -91.64 170.38 9.97 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.04 -1.096 . . . . 5.8799999999999999 108.04 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.05 99.58 3.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 4.2999999999999998 110.294 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 403' ' ' TYR . . . . . 0.428 ' O ' ' CG ' ' A' ' 403' ' ' TYR . 14.1 t80 -102.27 85.17 2.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 5.4699999999999998 111.069 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -49.84 136.95 17.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 2.7799999999999998 109.359 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 390' ' ' TYR . 0.5 OUTLIER -101.67 -40.69 6.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 4.0099999999999998 110.329 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . 0.459 ' HB3' ' CB ' ' A' ' 390' ' ' TYR . 1.7 ppt_? -56.75 -36.25 69.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 8.6999999999999993 110.305 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 407' ' ' ARG . . . . . 0.462 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.0 OUTLIER -100.08 -38.47 8.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 2.5699999999999998 110.271 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . 0.462 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 2.9 tt0 83.5 22.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 2.9100000000000001 110.31 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.84 124.09 44.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 3.1299999999999999 110.959 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.86 138.29 36.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 3.04 111.007 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.86 138.69 78.3 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 3.54 109.264 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 111.59 3.36 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.476 1.777 . . . . 3.0099999999999998 111.015 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 40.14 93.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 3.3199999999999998 111.078 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 414' ' ' TYR . . . . . 0.431 ' CE1' ' HG3' ' A' ' 416' ' ' LYS . 1.6 t80 -132.81 62.16 60.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 4.3300000000000001 111.034 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 415' ' ' PRO . . . . . 0.501 ' CB ' ' OE1' ' A' ' 399' ' ' GLN . 18.4 Cg_endo -74.97 85.8 1.48 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.481 1.779 . . . . 3.29 110.994 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . 0.575 ' HB2' ' CE2' ' A' ' 400' ' ' TYR . 41.4 mmtt -101.14 -170.91 1.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 4.21 109.353 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.11 138.94 51.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 2.3500000000000001 109.253 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 418' ' ' ILE . . . . . 0.751 HD11 ' O ' ' A' ' 399' ' ' GLN . 5.0 mt -69.16 -67.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 1.02 109.327 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 5.3 t -39.64 -31.56 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.414 1.071 . . . . 1.29 110.34 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 418' ' ' ILE . 10.6 mttt -69.58 -60.04 2.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 2.9700000000000002 109.279 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -58.07 -48.84 78.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 3.6000000000000001 109.334 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 422' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -120.92 103.36 9.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.524 1.14 . . . . 2.4399999999999999 111.018 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.38 99.26 12.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.177 . . . . 1.99 110.343 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 163.82 -38.34 0.32 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 1.4199999999999999 111.015 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 425' ' ' ILE . . . . . 0.674 HG22 ' CZ ' ' A' ' 442' ' ' PHE . 6.7 pt -82.83 -54.0 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.408 0.711 . . . . 2.5600000000000001 109.291 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 128.65 168.05 12.32 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.12 . . . . 1.3200000000000001 111.02 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -10.16 21.12 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.533 1.807 . . . . 1.4399999999999999 111.05 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -125.43 133.74 52.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 3.23 109.245 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 429' ' ' ILE . . . . . 0.598 HD11 ' HB ' ' A' ' 425' ' ' ILE . 6.1 mm -138.34 119.04 16.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.523 1.14 . . . . 2.5 109.292 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.28 -49.91 73.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.433 1.083 . . . . 2.8399999999999999 109.317 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 431' ' ' ALA . . . . . 0.742 ' HB1' HG22 ' A' ' 291' ' ' VAL . . . -169.57 158.31 7.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 1.45 109.288 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.679 HG12 ' HB1' ' A' ' 382' ' ' ALA . 3.8 p -159.02 153.69 5.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 2.2200000000000002 109.318 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 433' ' ' PHE . . . . . 0.535 ' HD2' HG23 ' A' ' 291' ' ' VAL . 7.9 p90 -153.27 174.6 14.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 3.23 111.04 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -103.42 134.96 45.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 4.2400000000000002 110.988 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 435' ' ' SER . . . . . 0.633 ' CB ' HG21 ' A' ' 293' ' ' THR . 4.9 p -156.06 148.69 23.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 3.2200000000000002 110.0 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 436' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 435' ' ' SER . 0.6 OUTLIER 82.78 -128.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 4.8700000000000001 109.326 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -102.98 -49.43 3.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 5.0199999999999996 109.28 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.87 34.3 0.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 4.3799999999999999 109.336 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 439' ' ' TYR . . . . . 0.401 ' CD2' ' OD1' ' A' ' 452' ' ' ASP . 56.0 m-85 -100.26 132.16 45.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.599 1.187 . . . . 3.8500000000000001 111.04 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -110.78 113.62 26.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.475 1.109 . . . . 3.3500000000000001 110.969 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 441' ' ' TYR . . . . . 0.455 ' HB2' ' CE1' ' A' ' 433' ' ' PHE . 8.7 m-85 -102.14 85.51 2.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 3.1200000000000001 110.964 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . 0.674 ' CZ ' HG22 ' A' ' 425' ' ' ILE . 40.4 p90 -104.15 165.41 11.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 5.6399999999999997 110.975 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 443' ' ' PHE . . . . . 0.554 ' CE2' ' CG ' ' A' ' 448' ' ' GLN . 39.1 m-85 -127.64 121.64 31.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 4.7199999999999998 110.962 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -113.61 78.47 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 3.4100000000000001 110.297 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 88.44 -130.84 10.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.115 . . . . 2.29 110.982 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 10.8 p -95.42 36.51 1.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.769 . . . . 1.99 109.965 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 447' ' ' ASN . . . . . 0.447 ' ND2' ' N ' ' A' ' 447' ' ' ASN . 0.1 OUTLIER -143.78 136.48 27.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.135 . . . . 2.3399999999999999 109.259 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 448' ' ' GLN . . . . . 0.554 ' CG ' ' CE2' ' A' ' 443' ' ' PHE . 0.8 OUTLIER -105.87 95.0 5.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 2.8399999999999999 110.308 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 449' ' ' PHE . . . . . 0.633 ' CE2' ' CG2' ' A' ' 461' ' ' THR . 38.0 m-85 -95.39 143.51 26.68 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.436 1.085 . . . . 2.5099999999999998 111.029 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 0.505 ' O ' HG23 ' A' ' 458' ' ' ILE . 5.3 tm-20 -120.1 123.62 43.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.543 1.152 . . . . 4.3200000000000003 110.259 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 451' ' ' TYR . . . . . 0.401 ' CD1' HG23 ' A' ' 425' ' ' ILE . 2.8 t80 -100.9 160.12 14.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 2.8700000000000001 111.033 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 452' ' ' ASP . . . . . 0.401 ' OD1' ' CD2' ' A' ' 439' ' ' TYR . 43.2 m-20 -152.5 155.01 36.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 4.7999999999999998 109.275 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . 0.542 ' O ' ' CD1' ' A' ' 453' ' ' PHE . 39.0 t80 -83.71 -0.69 51.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 4.1900000000000004 110.959 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 40.2 tp -43.65 -55.34 4.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.395 1.06 . . . . 3.27 109.296 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -148.74 22.06 1.01 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.089 . . . . 2.7000000000000002 109.224 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 63.26 42.56 6.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 3.5099999999999998 110.239 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -143.92 158.55 43.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 4.3799999999999999 110.319 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 458' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 450' ' ' GLU . 3.6 mt -79.49 142.92 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 2.3799999999999999 109.326 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 41.9 p -96.61 -54.43 3.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 4.0199999999999996 110.386 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.62 154.3 26.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 4.4699999999999998 109.267 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 461' ' ' THR . . . . . 0.633 ' CG2' ' CE2' ' A' ' 449' ' ' PHE . 2.3 m -153.46 95.35 1.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 2.7999999999999998 110.391 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -118.29 179.43 4.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 2.3900000000000001 109.25 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -93.89 166.23 12.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 3.0299999999999998 109.33 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 98.5 p -64.14 -51.29 64.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 2.4900000000000002 110.031 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 465' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 470' ' ' CYS . 75.0 m-20 -90.74 50.11 1.76 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 3.6400000000000001 109.264 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 44.1 t -116.77 -4.17 11.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 3.6499999999999999 109.977 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -113.92 -59.5 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 5.1600000000000001 108.064 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 468' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 470' ' ' CYS . 0.3 OUTLIER -38.55 -35.75 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.572 1.17 . . . . 7.1100000000000003 111.031 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 111.89 39.73 1.26 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.54 1.15 . . . . 2.7799999999999998 111.04 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 470' ' ' CYS . . . . . 0.567 ' HB2' ' CD1' ' A' ' 468' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 N-CA-C 108.274 -1.01 . . . . 5.0599999999999996 108.274 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 277' ' ' MET . . . . . . . . . . . . . 25.0 mtt . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.514 0.197 . . . . 14.16 110.989 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -90.43 153.83 46.28 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 8.9900000000000002 110.294 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 279' ' ' PRO . . . . . 0.73 ' HA ' HD12 ' A' ' 286' ' ' LEU . 18.0 Cg_endo -75.02 -0.34 9.85 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.472 1.775 . . . . 4.4699999999999998 110.982 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 280' ' ' ALA . . . . . . . . . . . . . . . -41.3 106.59 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 3.6000000000000001 109.295 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 281' ' ' LEU . . . . . 0.807 HD13 ' CE2' ' A' ' 468' ' ' PHE . 1.3 mt -78.22 -37.91 44.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 3.7599999999999998 109.262 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 282' ' ' CYS . . . . . 1.283 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 83.3 m -84.16 52.75 2.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 3.77 108.252 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -179.04 119.54 0.23 Allowed Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 4.6600000000000001 109.316 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 91.39 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.5 1.789 . . . . 2.6299999999999999 111.0 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 285' ' ' ASN . . . . . 0.449 HD22 ' N ' ' A' ' 285' ' ' ASN . 0.1 OUTLIER 177.68 42.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 3.77 109.321 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 286' ' ' LEU . . . . . 0.73 HD12 ' HA ' ' A' ' 279' ' ' PRO . 1.0 OUTLIER -112.17 151.44 29.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 3.2999999999999998 109.355 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 22.7 p -145.28 160.14 41.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 1.75 110.046 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 288' ' ' PHE . . . . . 0.426 ' CZ ' HD21 ' A' ' 286' ' ' LEU . 20.0 m-85 -122.72 176.25 6.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 2.0699999999999998 110.984 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.27 -56.1 2.18 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.495 1.122 . . . . 2.29 109.307 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -146.08 159.43 43.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.81000000000000005 109.278 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 291' ' ' VAL . . . . . . . . . . . . . 87.0 t -150.3 136.98 12.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 2.2000000000000002 109.302 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . 0.525 ' HB ' ' HB1' ' A' ' 335' ' ' ALA . 11.4 t -127.63 179.04 5.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.3500000000000001 110.339 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 12.2 p -140.37 141.48 35.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 2.8399999999999999 110.421 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 59.4 t -136.05 124.67 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 1.8400000000000001 109.253 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 56.13 -93.2 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.528 1.143 . . . . 2.1400000000000001 111.041 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 -139.03 28.85 2.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.444 0.732 . . . . 3.8799999999999999 109.312 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.532 ' HA ' HG21 ' A' ' 310' ' ' VAL . 20.8 mtmt -124.43 154.71 40.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 2.3500000000000001 109.303 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 298' ' ' ILE . . . . . 0.732 ' H ' HG11 ' A' ' 310' ' ' VAL . 6.6 pt -122.97 121.69 63.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 2.0099999999999998 109.24 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 299' ' ' PHE . . . . . 0.616 ' CE2' HD21 ' A' ' 308' ' ' LEU . 16.1 m-85 -110.54 134.52 52.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 2.7999999999999998 111.029 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 300' ' ' PHE . . . . . 0.586 ' CZ ' HD12 ' A' ' 298' ' ' ILE . 65.5 m-85 -111.88 134.69 53.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 2.52 111.019 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 301' ' ' PHE . . . . . 0.633 ' CE2' HD13 ' A' ' 332' ' ' ILE . 9.7 m-85 -99.13 138.11 36.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.174 . . . . 2.3500000000000001 110.956 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 302' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 305' ' ' PHE . 0.6 OUTLIER -135.87 94.53 3.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 2.8700000000000001 109.275 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 55.69 -91.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 3.6200000000000001 109.299 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 304' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 302' ' ' LYS . 0.0 OUTLIER -116.27 -18.51 10.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 5.0700000000000003 110.308 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . 0.45 ' O ' ' N ' ' A' ' 302' ' ' LYS . 96.7 m-85 -100.07 148.31 24.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 2.71 111.003 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 306' ' ' PHE . . . . . 0.53 ' C ' ' CD1' ' A' ' 306' ' ' PHE . 3.7 p90 -116.26 158.58 23.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 1.8400000000000001 110.981 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 307' ' ' TRP . . . . . 0.538 ' CZ3' HD11 ' A' ' 286' ' ' LEU . 0.0 OUTLIER -110.54 162.9 14.25 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.979 -1.119 . . . . 4.4100000000000001 107.979 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.616 HD21 ' CE2' ' A' ' 299' ' ' PHE . 0.2 OUTLIER -154.87 116.92 4.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 1.6499999999999999 109.294 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 309' ' ' LYS . . . . . 0.446 ' CB ' HG22 ' A' ' 316' ' ' THR . 0.0 OUTLIER -168.25 89.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 2.5800000000000001 109.246 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . 0.732 HG11 ' H ' ' A' ' 298' ' ' ILE . 4.2 p -160.54 167.27 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 2.1699999999999999 109.288 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . 0.533 ' N ' HG22 ' A' ' 310' ' ' VAL . 28.6 t 64.31 -85.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.384 1.053 . . . . 3.8199999999999998 110.039 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -131.71 71.17 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 4.5999999999999996 110.31 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 313' ' ' ARG . . . . . 0.403 ' CB ' ' HA ' ' A' ' 309' ' ' LYS . 1.7 mpt_? -139.68 106.11 6.98 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 4.3799999999999999 110.295 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -24.63 12.48 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.485 1.781 . . . . 2.8100000000000001 111.03 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.08 158.42 44.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 4.8300000000000001 109.265 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . 0.446 HG22 ' CB ' ' A' ' 309' ' ' LYS . 7.8 p -93.98 167.3 11.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 1.24 110.461 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 74.3 m -140.98 126.0 18.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 2.4300000000000002 109.959 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 98.4 t -93.94 106.46 18.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 2.3799999999999999 109.324 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 306' ' ' PHE . 1.4 m120 -121.84 166.87 13.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 1.98 109.26 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.11 144.6 28.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 2.0099999999999998 109.315 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 321' ' ' ILE . . . . . 0.403 ' C ' ' N ' ' A' ' 323' ' ' SER . 33.0 mt -69.22 -66.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 1.1299999999999999 109.298 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 49.0 m -41.3 -28.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 2.1699999999999999 109.972 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 323' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 321' ' ' ILE . 0.6 OUTLIER -48.71 -39.36 24.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 2.5800000000000001 110.031 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.08 -74.0 0.67 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 1.8799999999999999 109.281 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 325' ' ' TRP . . . . . 0.402 ' HB3' ' CB ' ' A' ' 328' ' ' LEU . 0.0 OUTLIER -56.86 112.19 4.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 1.77 108.029 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -83.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.599 1.842 . . . . 1.5700000000000001 111.061 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 327' ' ' THR . . . . . 0.63 HG22 ' O ' ' A' ' 327' ' ' THR . 2.9 m -70.12 61.67 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 3.1099999999999999 110.349 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.87 HD13 ' HD2' ' A' ' 329' ' ' PRO . 0.3 OUTLIER -141.44 130.38 12.44 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 2.4500000000000002 109.284 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 329' ' ' PRO . . . . . 0.87 ' HD2' HD13 ' A' ' 328' ' ' LEU . 18.4 Cg_endo -74.95 172.12 16.98 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.521 1.801 . . . . 2.02 111.077 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.02 150.2 32.3 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.543 1.152 . . . . 2.3599999999999999 110.054 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 85.5 42.48 6.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 1.45 110.97 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.633 HD13 ' CE2' ' A' ' 301' ' ' PHE . 10.6 mt -49.83 137.57 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.489 0.758 . . . . 1.6299999999999999 109.295 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.14 -52.1 5.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 3.71 110.365 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -143.76 129.02 18.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.78000000000000003 109.314 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . 0.525 ' HB1' ' HB ' ' A' ' 292' ' ' THR . . . -117.31 126.11 52.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.84999999999999998 109.277 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 336' ' ' TYR . . . . . 0.517 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 10.5 p90 -151.75 126.54 9.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 3.2999999999999998 110.979 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -89.37 175.16 7.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 5.1399999999999997 110.293 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . 0.569 HG23 ' O ' ' A' ' 338' ' ' ILE . 0.5 OUTLIER -133.15 96.31 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 3.1899999999999999 109.284 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -70.75 75.83 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.588 1.18 . . . . 3.7400000000000002 110.29 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -155.58 -58.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 1.75 109.313 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -109.24 8.02 25.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 5.7300000000000004 110.324 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 47.0 t30 59.4 66.35 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 2.1099999999999999 109.253 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . 0.419 ' CG ' ' O ' ' A' ' 355' ' ' ILE . 0.0 OUTLIER -128.81 179.73 5.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 2.4199999999999999 110.253 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 344' ' ' VAL . . . . . 0.462 ' HB ' ' CG2' ' A' ' 355' ' ' ILE . 3.2 t -149.71 150.71 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.3899999999999999 109.316 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 345' ' ' PHE . . . . . 0.517 ' C ' HD22 ' A' ' 346' ' ' LEU . 35.4 m-85 -134.21 133.32 40.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 2.5499999999999998 111.011 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 0.517 HD22 ' C ' ' A' ' 345' ' ' PHE . 3.8 mm? -123.72 119.86 31.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 1.3999999999999999 109.277 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -96.1 140.17 31.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 2.7000000000000002 110.97 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 348' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.82 119.32 2.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 3.0899999999999999 109.304 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 4.7 t0 57.23 -150.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 3.4399999999999999 109.36 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 350' ' ' ASP . . . . . 0.553 ' OD1' HD11 ' A' ' 368' ' ' ILE . 2.0 t0 -87.91 42.17 1.04 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 3.2200000000000002 109.294 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.482 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 34.8 mtmt -155.99 154.79 31.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 1.74 109.253 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 352' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 366' ' ' LYS . 39.9 p90 -142.12 147.13 36.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 2.7400000000000002 110.995 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 353' ' ' TRP . . . . . 0.558 ' CZ3' ' HG3' ' A' ' 329' ' ' PRO . 3.3 m-90 -104.63 163.39 12.52 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.001 -1.111 . . . . 3.98 108.001 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 354' ' ' LEU . . . . . 0.49 HD23 ' HG3' ' A' ' 361' ' ' GLU . 0.3 OUTLIER -125.68 103.96 8.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 2.75 109.298 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.539 ' N ' ' CD1' ' A' ' 355' ' ' ILE . 1.2 mp -72.88 122.86 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 1.6899999999999999 109.28 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 42.2 t -132.62 118.76 19.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 1.46 110.054 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 60.06 47.59 9.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.531 1.144 . . . . 3.4900000000000002 109.258 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 56.59 43.24 25.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 4.6500000000000004 109.317 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -162.73 120.19 1.28 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 5.4500000000000002 110.324 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 360' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 361' ' ' GLU . 18.3 Cg_endo -74.94 117.8 5.05 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.553 1.818 . . . . 1.99 111.031 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 361' ' ' GLU . . . . . 0.49 ' HG3' HD23 ' A' ' 354' ' ' LEU . 5.0 mm-40 -36.41 124.74 0.74 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 2.8500000000000001 110.298 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 136.5 20.59 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.57 1.826 . . . . 2.6600000000000001 111.0 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 363' ' ' ASN . . . . . 0.438 ' C ' ' HD3' ' A' ' 365' ' ' PRO . 3.1 t-20 63.45 61.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 3.4500000000000002 109.242 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 364' ' ' TYR . . . . . 0.524 ' N ' ' HD3' ' A' ' 365' ' ' PRO . 0.2 OUTLIER -132.34 57.9 32.71 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 3.6099999999999999 111.049 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . 0.524 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.4 Cg_endo -74.94 53.06 3.2 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.599 1.841 . . . . 1.3100000000000001 110.986 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 366' ' ' LYS . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 352' ' ' TYR . 0.0 OUTLIER -65.83 160.85 22.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 3.0499999999999998 109.333 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 29.3 t -135.5 130.92 35.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 2.3100000000000001 110.0 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . 0.553 HD11 ' OD1' ' A' ' 350' ' ' ASP . 3.2 pt -41.87 -42.82 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 1.78 109.245 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 369' ' ' HIS . . . . . 0.4 ' C ' ' N ' ' A' ' 371' ' ' PHE . 23.7 t60 -40.25 -29.82 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 3.7999999999999998 109.608 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 370' ' ' SER . . . . . 0.56 ' O ' ' CG ' ' A' ' 371' ' ' PHE . 50.6 m -47.85 -23.36 0.73 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.443 1.09 . . . . 2.77 109.995 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 371' ' ' PHE . . . . . 0.56 ' CG ' ' O ' ' A' ' 370' ' ' SER . 0.3 OUTLIER 164.68 71.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 6.79 110.979 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 372' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 374' ' ' PRO . . . -174.35 -66.26 0.05 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.533 1.146 . . . . 3.0299999999999998 110.977 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 373' ' ' PHE . . . . . 0.653 ' HA ' HG12 ' A' ' 377' ' ' VAL . 59.8 t80 -34.23 96.3 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.423 0.72 . . . . 5.6299999999999999 111.03 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 374' ' ' PRO . . . . . 0.544 ' HG2' ' CH2' ' A' ' 401' ' ' TRP . 18.2 Cg_endo -75.06 -76.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.506 1.793 . . . . 2.29 110.964 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -96.8 -78.8 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 4.9000000000000004 109.278 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 376' ' ' PHE . . . . . 0.558 ' HA ' ' CZ ' ' A' ' 373' ' ' PHE . 14.2 m-85 -144.7 58.33 1.31 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 6.5499999999999998 110.996 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 377' ' ' VAL . . . . . 0.653 HG12 ' HA ' ' A' ' 373' ' ' PHE . 0.8 OUTLIER -88.96 162.28 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 2.0099999999999998 109.298 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.75 -38.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.601 1.188 . . . . 3.5 109.325 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -118.08 116.01 26.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 2.6000000000000001 109.26 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . 0.443 ' CG2' ' N ' ' A' ' 381' ' ' ASP . 83.0 mt -101.76 163.01 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 1.4399999999999999 109.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 381' ' ' ASP . . . . . 0.728 ' O ' 'CA ' ' A' ' 471' ' ' ' CA' . 0.7 OUTLIER -92.45 -51.81 4.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 1.8600000000000001 109.254 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 382' ' ' ALA . . . . . 1.026 ' HB1' HG12 ' A' ' 432' ' ' VAL . . . -159.85 168.09 26.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.62 1.2 . . . . 0.62 109.263 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -156.92 130.32 8.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.79000000000000004 109.295 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . 0.426 HG13 ' CE2' ' A' ' 393' ' ' TYR . 4.0 p -136.29 158.89 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 2.0800000000000001 109.31 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 385' ' ' PHE . . . . . 0.457 ' C ' ' CD1' ' A' ' 385' ' ' PHE . 2.1 t80 -118.67 127.92 54.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 1.97 110.968 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 386' ' ' ASN . . . . . 0.44 ' HB3' ' CB ' ' A' ' 389' ' ' PHE . 0.2 OUTLIER -91.63 122.63 65.39 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 2.1400000000000001 109.269 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -30.21 7.39 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.503 1.791 . . . . 1.6200000000000001 111.018 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 1.8 tpt85 -91.7 28.36 1.79 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 3.2799999999999998 110.28 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 389' ' ' PHE . . . . . 0.557 ' C ' ' CG ' ' A' ' 390' ' ' TYR . 0.8 OUTLIER -151.3 -38.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 3.3900000000000001 111.026 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 390' ' ' TYR . . . . . 0.557 ' CG ' ' C ' ' A' ' 389' ' ' PHE . 4.4 m-85 74.08 31.93 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 2.7000000000000002 110.972 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 391' ' ' ARG . . . . . 0.409 ' HD2' ' CD ' ' A' ' 402' ' ' ARG . 18.1 mtt180 -136.88 146.75 45.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 3.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 392' ' ' THR . . . . . 0.525 HG22 ' HE1' ' A' ' 394' ' ' PHE . 27.1 m -117.99 126.7 52.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 1.1499999999999999 110.397 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . 0.458 ' C ' ' CD1' ' A' ' 394' ' ' PHE . 1.0 OUTLIER -119.96 157.14 29.43 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.533 1.145 . . . . 3.7999999999999998 110.963 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 394' ' ' PHE . . . . . 0.525 ' HE1' HG22 ' A' ' 392' ' ' THR . 1.0 OUTLIER -134.19 170.01 16.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 2.3100000000000001 111.01 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -120.01 129.71 54.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 1.8100000000000001 111.03 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 396' ' ' VAL . . . . . 0.418 ' O ' ' CB ' ' A' ' 397' ' ' ASP . 10.2 t -114.62 74.2 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 1.9199999999999999 109.318 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 397' ' ' ASP . . . . . 0.418 ' CB ' ' O ' ' A' ' 396' ' ' VAL . 0.8 OUTLIER 75.96 -65.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 4.9900000000000002 109.289 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . 0.413 HD21 HD11 ' A' ' 417' ' ' LEU . 28.7 t-20 -151.43 50.78 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 3.4199999999999999 109.331 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -140.5 148.47 41.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 2.3199999999999998 110.339 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 400' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 400' ' ' TYR . 1.1 t80 -119.3 101.36 7.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 2.5899999999999999 111.014 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' TRP . . . . . 0.544 ' CH2' ' HG2' ' A' ' 374' ' ' PRO . 46.8 m0 -98.64 164.67 12.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 4.6600000000000001 108.025 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 402' ' ' ARG . . . . . 0.409 ' CD ' ' HD2' ' A' ' 391' ' ' ARG . 0.0 OUTLIER -153.59 111.83 3.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 3.0 110.253 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 403' ' ' TYR . . . . . 0.48 ' CD2' ' HB3' ' A' ' 410' ' ' MET . 4.4 t80 -100.19 121.28 41.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 5.2000000000000002 110.977 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.78 124.97 24.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 2.1400000000000001 109.304 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -89.24 -47.42 8.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 3.0800000000000001 110.334 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -55.0 35.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 6.0700000000000003 110.264 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 407' ' ' ARG . . . . . 0.451 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.0 OUTLIER -67.7 -41.92 82.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 3.23 110.26 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . 0.451 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 0.0 OUTLIER 83.09 29.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 3.2000000000000002 110.297 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 3.1 tpt -135.95 109.03 7.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 2.1899999999999999 111.034 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 410' ' ' MET . . . . . 0.48 ' HB3' ' CD2' ' A' ' 403' ' ' TYR . 0.0 OUTLIER -64.21 146.04 54.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 2.0299999999999998 111.012 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.64 160.55 72.21 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 2.5800000000000001 109.28 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 85.62 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.544 1.812 . . . . 2.8599999999999999 110.923 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 72.47 -73.13 0.95 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.448 1.092 . . . . 4.8399999999999999 111.049 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 414' ' ' TYR . . . . . 0.532 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 2.7 t80 61.16 63.45 2.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 1.96 110.994 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 415' ' ' PRO . . . . . 0.409 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.5 Cg_endo -74.94 66.84 5.96 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.529 1.805 . . . . 1.6599999999999999 111.067 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . 0.532 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 24.9 mmtt -86.22 -176.35 5.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 2.4100000000000001 109.309 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . 0.539 HD12 HG22 ' A' ' 419' ' ' THR . 0.4 OUTLIER -126.76 136.23 52.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 2.8300000000000001 109.266 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.792 HG22 HD11 ' A' ' 425' ' ' ILE . 3.8 mt -69.49 -71.35 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 1.3100000000000001 109.294 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . 0.539 HG22 HD12 ' A' ' 417' ' ' LEU . 15.0 t -38.07 -29.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.1000000000000001 110.395 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 418' ' ' ILE . 26.1 mttt -69.22 -69.47 0.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 1.5700000000000001 109.263 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -48.29 -51.0 27.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 2.6200000000000001 109.239 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 422' ' ' PHE . . . . . 0.486 ' CE2' ' CD1' ' A' ' 451' ' ' TYR . 2.6 m-85 -119.16 102.54 8.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.45 1.094 . . . . 3.3500000000000001 110.982 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -89.92 112.92 24.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 2.1699999999999999 110.34 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 150.49 -31.06 1.04 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.574 1.172 . . . . 1.3899999999999999 110.958 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 425' ' ' ILE . . . . . 0.792 HD11 HG22 ' A' ' 418' ' ' ILE . 8.4 pt -82.64 -55.57 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 2.0899999999999999 109.241 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 426' ' ' GLY . . . . . 0.436 ' N ' ' CG1' ' A' ' 425' ' ' ILE . . . 132.37 167.46 11.8 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.548 1.155 . . . . 1.01 111.0 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . 0.405 ' CA ' ' HB ' ' A' ' 419' ' ' THR . 18.2 Cg_endo -74.98 -16.65 20.14 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.454 1.765 . . . . 1.27 110.977 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.807 ' C ' HD12 ' A' ' 429' ' ' ILE . 0.0 OUTLIER -121.53 131.15 53.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 4.8600000000000003 109.286 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 429' ' ' ILE . . . . . 0.807 HD12 ' C ' ' A' ' 428' ' ' LYS . 1.9 mp -130.86 125.39 58.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 2.9300000000000002 109.307 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.65 -86.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 2.0600000000000001 109.297 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -106.97 150.64 26.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 1.01 109.333 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 1.026 HG12 ' HB1' ' A' ' 382' ' ' ALA . 4.1 p -146.99 126.33 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 1.8700000000000001 109.357 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' PHE . . . . . 0.461 ' N ' ' CD1' ' A' ' 433' ' ' PHE . 5.8 p90 -147.71 146.53 29.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 3.3199999999999998 110.971 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.27 92.01 7.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 4.3200000000000003 110.966 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 94.2 p -123.19 91.3 3.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 2.77 110.009 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' LYS . . . . . 0.408 ' CB ' ' HB2' ' A' ' 439' ' ' TYR . 0.0 OUTLIER 174.62 -160.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 4.04 109.363 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -103.95 -30.88 10.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 3.8199999999999998 109.243 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.21 49.3 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 3.4100000000000001 109.346 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' TYR . . . . . 0.476 ' CD1' ' OE2' ' A' ' 450' ' ' GLU . 68.7 m-85 -138.74 173.88 11.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 2.5099999999999998 110.971 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -134.77 112.87 11.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 3.4900000000000002 111.013 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -84.89 110.99 19.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 2.9100000000000001 111.014 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . 0.702 ' CZ ' HG21 ' A' ' 432' ' ' VAL . 5.9 m-85 -121.33 146.92 46.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.608 1.193 . . . . 3.25 111.009 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' PHE . . . . . 0.584 ' C ' ' CD1' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -153.61 147.91 25.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 4.8300000000000001 111.01 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -158.93 102.62 1.66 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.475 1.109 . . . . 3.73 110.265 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 109.12 -91.56 0.66 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.159 . . . . 1.8 110.939 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 17.7 t -151.57 33.08 0.56 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 0.783 . . . . 1.97 110.019 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -137.02 134.59 36.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 2.1699999999999999 109.297 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' GLN . . . . . 0.489 ' O ' HD23 ' A' ' 462' ' ' LEU . 0.0 OUTLIER -107.91 88.12 2.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 2.9300000000000002 110.295 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -87.87 143.62 27.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 2.3399999999999999 111.005 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 0.931 ' O ' HG23 ' A' ' 458' ' ' ILE . 1.7 tt0 -121.31 134.17 55.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.374 1.046 . . . . 2.8999999999999999 110.306 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' TYR . . . . . 0.486 ' CD1' ' CE2' ' A' ' 422' ' ' PHE . 1.5 t80 -105.69 143.75 33.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.581 1.175 . . . . 2.7599999999999998 111.015 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -125.75 111.27 14.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 2.8300000000000001 109.303 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . 0.409 ' O ' ' CD1' ' A' ' 453' ' ' PHE . 19.3 t80 -59.59 -15.69 20.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.411 1.069 . . . . 3.3100000000000001 110.989 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 20.1 tp -42.57 -42.09 3.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 2.54 109.225 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -163.51 29.97 0.09 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 2.1800000000000002 109.357 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 47.77 57.02 6.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 3.2200000000000002 110.322 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.62 135.44 44.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.564 1.165 . . . . 4.4900000000000002 110.273 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' ILE . . . . . 0.931 HG23 ' O ' ' A' ' 450' ' ' GLU . 24.1 mt -100.13 114.38 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 1.5900000000000001 109.317 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 10.2 t -115.65 38.25 3.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 3.04 110.436 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -152.59 109.67 3.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.404 1.065 . . . . 4.1200000000000001 109.353 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 24.2 m -126.04 85.61 2.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 2.1800000000000002 110.396 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' LEU . . . . . 0.909 HD12 ' HB3' ' A' ' 466' ' ' SER . 0.9 OUTLIER -125.91 178.12 5.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 1.8300000000000001 109.333 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.0 173.78 6.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 3.96 109.322 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -32.19 73.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.8100000000000001 110.024 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -104.07 57.42 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 2.8799999999999999 109.304 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . 0.909 ' HB3' HD12 ' A' ' 462' ' ' LEU . 0.1 OUTLIER -116.55 -9.77 11.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.105 . . . . 2.9500000000000002 110.001 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 17.2 m95 -103.31 -44.86 5.05 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.495 1.122 . . . . 3.9399999999999999 108.04 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 468' ' ' PHE . . . . . 0.807 ' CE2' HD13 ' A' ' 281' ' ' LEU . 3.0 t80 -48.82 -47.35 42.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 6.9299999999999997 111.015 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 120.95 55.53 0.23 Allowed Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.458 1.099 . . . . 2.2000000000000002 111.064 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 470' ' ' CYS . . . . . 1.283 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 N-CA-C 108.332 -0.988 . . . . 3.8399999999999999 108.332 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 471' ' ' ' CA' . . . . . 0.728 'CA ' ' O ' ' A' ' 381' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 277' ' ' MET . . . . . . . . . . . . . 10.6 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.51 0.195 . . . . 8.3499999999999996 111.012 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . 0.425 ' N ' ' HD3' ' A' ' 279' ' ' PRO . 31.9 mt-10 53.16 63.32 8.55 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 6.71 110.248 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 279' ' ' PRO . . . . . 0.721 ' HB2' HD11 ' A' ' 286' ' ' LEU . 18.5 Cg_endo -74.99 128.68 11.69 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.496 1.787 . . . . 2.9300000000000002 111.013 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 280' ' ' ALA . . . . . . . . . . . . . . . -48.28 96.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 3.4100000000000001 109.295 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 281' ' ' LEU . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 468' ' ' PHE . 70.2 mt -63.45 -46.99 83.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 2.96 109.299 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 282' ' ' CYS . . . . . 1.288 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 3.1 t -79.46 57.64 2.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 3.3999999999999999 108.289 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 283' ' ' ASP . . . . . 0.404 ' HB3' ' ND2' ' A' ' 285' ' ' ASN . 9.0 t0 -176.21 109.33 0.25 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 3.4700000000000002 109.33 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 78.09 2.98 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.482 1.78 . . . . 1.97 111.015 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 285' ' ' ASN . . . . . 0.404 ' ND2' ' HB3' ' A' ' 283' ' ' ASP . 1.2 p30 -146.21 36.21 1.01 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 3.1600000000000001 109.25 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 286' ' ' LEU . . . . . 0.721 HD11 ' HB2' ' A' ' 279' ' ' PRO . 0.2 OUTLIER -113.51 175.03 5.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 3.48 109.315 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 61.8 p -144.62 169.31 18.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 1.53 109.984 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -129.17 152.47 48.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 1.77 110.981 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.35 -52.55 4.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 2.5099999999999998 109.283 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 332' ' ' ILE . . . -157.43 157.6 34.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.4199999999999999 109.323 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 291' ' ' VAL . . . . . . . . . . . . . 93.3 t -136.95 143.64 34.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 2.3500000000000001 109.329 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . 0.403 ' HB ' ' HB3' ' A' ' 335' ' ' ALA . 12.0 t -145.11 154.32 42.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 1.1499999999999999 110.405 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 4.7 t -111.0 146.74 36.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 2.3100000000000001 110.42 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 90.9 t -139.41 72.41 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.98 109.302 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 98.0 -112.14 4.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 1.6599999999999999 110.972 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -113.68 15.43 18.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.757 . . . . 3.1899999999999999 109.279 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.57 ' HA ' HG21 ' A' ' 310' ' ' VAL . 41.5 mtmt -121.57 152.54 39.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 3.73 109.298 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 298' ' ' ILE . . . . . 0.676 ' H ' HG11 ' A' ' 310' ' ' VAL . 10.6 pt -129.83 125.59 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 2.04 109.287 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 299' ' ' PHE . . . . . 0.546 ' CD1' HD21 ' A' ' 308' ' ' LEU . 7.0 m-85 -106.47 148.75 27.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 3.0699999999999998 111.026 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 300' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -125.86 97.03 4.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 2.8100000000000001 111.028 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 301' ' ' PHE . . . . . 0.559 ' CE1' HG12 ' A' ' 321' ' ' ILE . 24.3 m-85 -84.18 156.6 21.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 2.8100000000000001 111.035 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 302' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 305' ' ' PHE . 0.0 OUTLIER -161.6 70.33 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 3.6800000000000002 109.264 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 3.5 t70 49.14 83.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 3.5899999999999999 109.297 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 304' ' ' ARG . . . . . 0.423 ' HB3' ' CD1' ' A' ' 320' ' ' LEU . 2.8 mmt85 76.06 -54.23 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 6.7199999999999998 110.317 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 302' ' ' LYS . 38.2 m-85 -79.94 120.33 24.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 4.4699999999999998 110.989 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 306' ' ' PHE . . . . . 0.534 ' CZ ' ' HB2' ' A' ' 319' ' ' ASN . 5.4 p90 -133.94 144.84 49.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 2.04 110.986 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 307' ' ' TRP . . . . . 0.589 ' CZ2' HD22 ' A' ' 286' ' ' LEU . 16.9 m-90 -101.21 157.42 16.79 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.005 -1.109 . . . . 4.6100000000000003 108.005 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.546 HD21 ' CD1' ' A' ' 299' ' ' PHE . 0.3 OUTLIER -141.51 129.37 21.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 2.2999999999999998 109.248 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -165.01 98.26 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 2.1800000000000002 109.254 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . 0.676 HG11 ' H ' ' A' ' 298' ' ' ILE . 8.2 p -173.31 167.59 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 2.2400000000000002 109.332 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . 0.522 ' N ' HG22 ' A' ' 310' ' ' VAL . 33.0 t 67.2 -75.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 4.1399999999999997 109.975 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -165.52 77.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 5.4900000000000002 110.319 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.94 134.33 21.8 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 3.7999999999999998 110.327 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -35.87 2.92 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.461 1.769 . . . . 2.9900000000000002 111.011 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.23 167.54 28.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 3.6699999999999999 109.305 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 15.5 p -87.31 134.38 33.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 2.4100000000000001 110.365 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 2.3 m -126.7 146.94 50.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 3.7400000000000002 109.983 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 10.4 m -100.94 119.9 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 3.0299999999999998 109.311 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 306' ' ' PHE . 1.8 m120 -132.86 179.79 5.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 2.1600000000000001 109.327 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.423 ' CD1' ' HB3' ' A' ' 304' ' ' ARG . 12.1 tp -106.37 132.71 52.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 2.4700000000000002 109.296 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 321' ' ' ILE . . . . . 0.559 HG12 ' CE1' ' A' ' 301' ' ' PHE . 3.6 mt -62.53 -63.31 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 2.3199999999999998 109.296 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 322' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 321' ' ' ILE . 3.3 t -37.61 -33.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 2.2400000000000002 110.045 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 323' ' ' SER . . . . . 0.413 ' N ' ' C ' ' A' ' 321' ' ' ILE . 8.4 t -43.74 -27.46 0.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 1.6599999999999999 109.995 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 2.8 mp -115.12 -63.21 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 1.8100000000000001 109.283 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 325' ' ' TRP . . . . . 0.635 ' HB3' HD23 ' A' ' 328' ' ' LEU . 0.5 OUTLIER -65.36 144.21 98.93 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 2.25 107.999 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 326' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 325' ' ' TRP . 18.3 Cg_endo -75.07 -90.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.481 1.779 . . . . 1.6599999999999999 110.975 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 327' ' ' THR . . . . . 0.876 ' O ' HD22 ' A' ' 328' ' ' LEU . 12.0 t -85.02 86.56 7.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 2.4700000000000002 110.441 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.876 HD22 ' O ' ' A' ' 327' ' ' THR . 4.2 mm? -134.8 155.91 78.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 1.3999999999999999 109.272 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 329' ' ' PRO . . . . . 0.417 ' O ' ' CB ' ' A' ' 330' ' ' SER . 18.4 Cg_endo -74.99 -36.17 2.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.553 1.817 . . . . 2.3700000000000001 111.03 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 330' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 329' ' ' PRO . 3.2 m 80.76 -0.05 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 5.0300000000000002 109.973 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -116.12 -42.57 0.7 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.546 1.154 . . . . 3.9199999999999999 110.988 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.659 ' CG2' ' HB2' ' A' ' 335' ' ' ALA . 4.1 mp 42.43 89.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 2.1699999999999999 109.258 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -79.52 -13.89 59.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 2.6600000000000001 110.326 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -168.97 115.84 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 1.02 109.322 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . 0.659 ' HB2' ' CG2' ' A' ' 332' ' ' ILE . . . -129.96 155.59 45.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 1.4199999999999999 109.336 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 336' ' ' TYR . . . . . 0.745 ' CE2' HD11 ' A' ' 338' ' ' ILE . 22.5 p90 -155.34 114.81 3.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 3.1299999999999999 110.991 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -98.02 142.77 29.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 3.98 110.276 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . 0.745 HD11 ' CE2' ' A' ' 336' ' ' TYR . 1.4 mp -128.29 130.08 69.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 3.7599999999999998 109.318 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.57 -54.8 14.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 3.5800000000000001 110.26 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -49.5 -58.79 4.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 2.3199999999999998 109.323 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -59.37 -32.81 70.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 3.9199999999999999 110.281 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 342' ' ' ASN . . . . . 0.408 ' C ' ' HG2' ' A' ' 343' ' ' GLN . 9.2 t30 59.8 35.15 22.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 2.9900000000000002 109.321 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . 0.408 ' HG2' ' C ' ' A' ' 342' ' ' ASN . 0.1 OUTLIER -134.97 139.92 45.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 3.1899999999999999 110.338 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 344' ' ' VAL . . . . . 0.477 HG12 HD21 ' A' ' 346' ' ' LEU . 10.6 t -100.65 139.56 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 1.75 109.316 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 345' ' ' PHE . . . . . 0.818 ' C ' HD22 ' A' ' 346' ' ' LEU . 84.3 m-85 -121.44 130.14 53.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 3.6099999999999999 110.988 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 1.058 HD23 HD13 ' A' ' 355' ' ' ILE . 1.5 mm? -128.45 105.96 8.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 2.1699999999999999 109.351 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -99.43 158.44 15.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 3.4700000000000002 110.989 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 348' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -178.53 143.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 3.7999999999999998 109.264 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 51.25 -154.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 4.9699999999999998 109.295 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 350' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -91.62 41.84 1.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 3.8900000000000001 109.322 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -148.67 148.2 29.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 2.1299999999999999 109.308 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 352' ' ' TYR . . . . . 0.437 ' OH ' HG22 ' A' ' 368' ' ' ILE . 20.5 m-85 -110.52 164.0 13.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 6.6699999999999999 110.986 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -155.97 125.75 6.42 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.042 -1.096 . . . . 6.0700000000000003 108.042 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 354' ' ' LEU . . . . . 0.65 ' C ' HD12 ' A' ' 355' ' ' ILE . 0.8 OUTLIER -113.57 165.95 12.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 1.96 109.336 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 1.058 HD13 HD23 ' A' ' 346' ' ' LEU . 1.5 mp -129.52 118.8 46.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 2.1899999999999999 109.316 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 16.6 t -124.63 132.25 53.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 2.5099999999999998 109.975 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 357' ' ' ASN . . . . . 0.672 ' C ' HD23 ' A' ' 358' ' ' LEU . 43.6 m-20 58.79 48.09 11.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 4.3200000000000003 109.309 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . 0.672 HD23 ' C ' ' A' ' 357' ' ' ASN . 0.6 OUTLIER 50.91 40.19 24.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 4.3799999999999999 109.315 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -164.53 128.75 1.83 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 4.1799999999999997 110.287 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 360' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 355' ' ' ILE . 18.3 Cg_endo -74.94 169.79 21.83 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.509 1.794 . . . . 1.96 111.003 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.53 167.07 33.45 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 3.04 110.342 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -39.31 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.512 1.796 . . . . 3.2400000000000002 110.972 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 363' ' ' ASN . . . . . 0.422 ' C ' ' HD3' ' A' ' 365' ' ' PRO . 6.2 m-20 -159.19 112.72 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 3.8399999999999999 109.285 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 364' ' ' TYR . . . . . 0.564 ' CE2' HD23 ' A' ' 354' ' ' LEU . 0.3 OUTLIER -132.95 58.16 33.44 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 3.7799999999999998 111.008 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . 0.513 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.4 Cg_endo -75.01 62.94 5.96 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.48 1.779 . . . . 1.3100000000000001 110.977 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 366' ' ' LYS . . . . . 0.532 ' HD3' ' CD2' ' A' ' 364' ' ' TYR . 0.1 OUTLIER -65.72 163.1 17.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 2.0899999999999999 109.316 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 367' ' ' SER . . . . . 0.443 ' HG ' ' CE1' ' A' ' 369' ' ' HIS . 0.5 OUTLIER -119.92 127.25 52.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 2.4900000000000002 109.973 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . 1.02 HD12 HG13 ' A' ' 377' ' ' VAL . 13.7 pt -65.09 -38.34 82.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 3.7200000000000002 109.282 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 369' ' ' HIS . . . . . 0.443 ' CE1' ' HG ' ' A' ' 367' ' ' SER . 11.2 p-80 -63.86 -34.22 77.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 4.1900000000000004 109.604 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 1.5 m -70.05 -8.9 53.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 3.9100000000000001 110.008 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.97 2.57 53.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 6.29 111.01 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . 129.14 -26.58 4.41 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.486 1.116 . . . . 4.1299999999999999 111.006 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 373' ' ' PHE . . . . . . . . . . . . . 27.9 t80 52.1 92.71 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.509 0.77 . . . . 5.5599999999999996 110.99 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 374' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -162.76 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.789 . . . . 3.3799999999999999 111.053 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -42.38 -57.92 2.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 6.5899999999999999 109.308 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -161.64 102.83 1.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 6.0700000000000003 110.94 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 377' ' ' VAL . . . . . 1.02 HG13 HD12 ' A' ' 368' ' ' ILE . 9.1 p -108.84 152.41 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 2.96 109.33 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.86 -37.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 3.9900000000000002 109.292 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.74 132.99 26.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 1.7 109.256 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 5.0 mt -98.84 146.49 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 1.48 109.302 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.53 -51.08 9.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 2.0699999999999998 109.286 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 382' ' ' ALA . . . . . 0.445 ' CB ' HG12 ' A' ' 432' ' ' VAL . . . -164.37 176.72 8.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.75 109.267 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -164.17 130.54 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.67000000000000004 109.305 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . 0.503 HG12 ' HB2' ' A' ' 393' ' ' TYR . 9.7 p -141.17 159.45 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 2.2400000000000002 109.325 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 385' ' ' PHE . . . . . 0.415 ' CG ' ' N ' ' A' ' 386' ' ' ASN . 81.6 t80 -100.28 165.48 11.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 1.8600000000000001 110.973 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 386' ' ' ASN . . . . . 0.415 ' N ' ' CG ' ' A' ' 385' ' ' PHE . 9.6 t-20 -141.01 105.67 6.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 3.0699999999999998 109.304 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -13.63 21.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.514 1.797 . . . . 1.78 110.971 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.33 -48.39 28.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 1.97 110.34 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.89 6.26 27.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 3.8700000000000001 111.016 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 51.73 34.79 13.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 2.3100000000000001 110.999 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -124.22 161.36 25.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 2.7999999999999998 110.274 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 15.1 m -116.46 130.81 56.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 0.80000000000000004 110.43 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . 0.503 ' HB2' HG12 ' A' ' 384' ' ' VAL . 20.0 m-30 -85.82 142.89 28.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 2.6499999999999999 111.002 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.2 115.39 11.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 3.0600000000000001 110.992 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . 0.68 ' CD2' HG21 ' A' ' 429' ' ' ILE . 47.4 m-85 -94.59 120.13 34.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 1.28 111.02 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.24 124.74 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 2.5 109.274 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 51.69 -154.94 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 3.8700000000000001 109.326 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -84.72 49.91 1.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 3.2799999999999998 109.31 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.21 169.38 19.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 2.3599999999999999 110.317 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -126.57 120.31 29.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 2.9700000000000002 111.0 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 3.9 m95 -115.2 163.42 15.68 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.98 -1.119 . . . . 5.3700000000000001 107.98 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -152.1 118.34 5.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 2.7000000000000002 110.317 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -95.83 163.29 13.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 4.8300000000000001 110.998 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.4 123.87 48.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 2.9700000000000002 109.29 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -83.04 -50.81 8.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 2.9399999999999999 110.275 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -66.44 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 6.4699999999999998 110.31 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -39.43 69.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 3.1600000000000001 110.337 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.52 36.45 0.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 2.8500000000000001 110.312 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.71 118.75 13.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 2.5099999999999998 111.008 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -59.88 125.15 22.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 2.8700000000000001 111.004 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.58 137.78 5.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 2.98 109.306 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 412' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 413' ' ' GLY . 18.3 Cg_endo -75.01 105.83 2.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.457 1.767 . . . . 2.6600000000000001 111.023 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 413' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 412' ' ' PRO . . . 50.59 103.4 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.528 1.143 . . . . 2.0699999999999998 111.016 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 414' ' ' TYR . . . . . 0.532 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 3.9 t80 -132.51 63.61 68.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.774 . . . . 2.2599999999999998 110.996 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 415' ' ' PRO . . . . . 0.4 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.5 Cg_endo -74.96 69.95 5.39 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.515 1.798 . . . . 1.54 111.003 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . 0.532 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 5.1 mmtt -89.23 -172.53 3.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 2.5499999999999998 109.309 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.1 mt -134.39 133.16 40.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 2.52 109.307 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.574 HG22 HD11 ' A' ' 425' ' ' ILE . 2.5 mt -60.73 -66.97 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.90000000000000002 109.299 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 13.2 t -42.81 -36.09 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 1.05 110.413 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 15.1 mttp -66.19 -65.99 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 1.9299999999999999 109.301 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . 0.588 ' O ' ' CD1' ' A' ' 422' ' ' PHE . 0.7 OUTLIER -47.61 -30.87 3.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 2.4900000000000002 109.26 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 422' ' ' PHE . . . . . 0.644 ' HB2' HD12 ' A' ' 425' ' ' ILE . 28.1 m-85 -152.8 118.24 5.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 2.4399999999999999 111.03 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -94.07 100.36 12.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 2.6400000000000001 110.289 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . 0.422 ' HA3' HD13 ' A' ' 458' ' ' ILE . . . 161.71 -33.69 0.36 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 1.77 111.006 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 425' ' ' ILE . . . . . 0.644 HD12 ' HB2' ' A' ' 422' ' ' PHE . 0.2 OUTLIER -86.41 -19.51 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 2.1899999999999999 109.27 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 89.49 174.52 46.02 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.485 1.115 . . . . 0.78000000000000003 111.006 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -9.9 21.0 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.472 1.775 . . . . 1.22 111.006 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -125.05 134.77 52.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 2.27 109.323 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 429' ' ' ILE . . . . . 0.784 HD11 ' HB3' ' A' ' 442' ' ' PHE . 9.4 tp -125.13 152.02 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 1.53 109.276 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 443' ' ' PHE . 2.8 t0 -105.14 -60.02 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 2.21 109.305 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -141.15 153.53 45.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.83999999999999997 109.311 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.506 HG11 ' CE1' ' A' ' 395' ' ' PHE . 1.2 p -158.01 138.02 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 1.8300000000000001 109.259 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' PHE . . . . . 0.419 ' N ' ' CD1' ' A' ' 433' ' ' PHE . 3.8 p90 -147.57 167.71 23.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 2.8599999999999999 111.025 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' TYR . . . . . 0.472 ' CD1' ' O ' ' A' ' 439' ' ' TYR . 25.7 t80 -129.31 84.27 2.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 3.7400000000000002 111.0 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.24 -5.38 15.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 2.3900000000000001 109.989 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' LYS . . . . . 0.483 ' HG3' ' CE1' ' A' ' 441' ' ' TYR . 17.3 mmmt -74.05 -167.32 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 3.7000000000000002 109.346 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -97.34 -36.51 10.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 3.6000000000000001 109.29 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -159.98 46.48 0.25 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 4.3099999999999996 109.345 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' TYR . . . . . 0.539 ' CD1' ' OE2' ' A' ' 450' ' ' GLU . 87.8 m-85 -146.9 160.52 42.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 2.23 110.964 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -126.97 116.02 20.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 3.46 111.008 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' TYR . . . . . 0.513 ' CE1' ' HG3' ' A' ' 450' ' ' GLU . 3.3 m-85 -90.49 158.58 16.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 2.3999999999999999 111.03 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . 0.784 ' HB3' HD11 ' A' ' 429' ' ' ILE . 96.0 m-85 -146.44 143.68 29.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 3.3700000000000001 111.008 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' PHE . . . . . 0.644 ' CE2' ' NE2' ' A' ' 448' ' ' GLN . 0.2 OUTLIER -117.78 118.4 31.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 3.75 110.978 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . 0.419 ' OE1' ' HA ' ' A' ' 425' ' ' ILE . 0.0 OUTLIER -142.87 105.01 4.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 6.1699999999999999 110.307 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 83.13 -89.41 1.52 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 1.72 110.993 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.8 38.02 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 2.1099999999999999 109.976 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' ASN . . . . . 0.521 ' OD1' ' CD2' ' A' ' 449' ' ' PHE . 16.6 p30 -143.65 133.94 24.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 3.77 109.311 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' GLN . . . . . 0.644 ' NE2' ' CE2' ' A' ' 443' ' ' PHE . 2.1 mt-30 -100.37 113.11 25.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 2.9300000000000002 110.311 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' PHE . . . . . 0.521 ' CD2' ' OD1' ' A' ' 447' ' ' ASN . 20.2 m-85 -104.41 133.33 49.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 2.5699999999999998 110.992 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 0.672 ' O ' HG23 ' A' ' 458' ' ' ILE . 2.4 tt0 -116.23 130.62 56.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 3.0099999999999998 110.305 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -100.41 113.2 25.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 5.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.06 102.74 14.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 4.0899999999999999 109.305 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . 0.418 ' C ' ' N ' ' A' ' 455' ' ' LEU . 19.7 t80 -61.08 -15.2 30.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 3.46 110.988 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 60.5 tp -43.58 -27.48 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 2.1899999999999999 109.308 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.418 ' N ' ' C ' ' A' ' 453' ' ' PHE . 1.0 OUTLIER -175.37 35.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 2.0800000000000001 109.31 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . 0.404 ' OE1' ' C ' ' A' ' 455' ' ' LEU . 3.7 mp0 44.12 52.12 7.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 3.2400000000000002 110.318 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -125.89 121.32 32.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 3.5800000000000001 110.28 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' ILE . . . . . 0.672 HG23 ' O ' ' A' ' 450' ' ' GLU . 5.0 mt -95.2 113.87 30.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 2.98 109.302 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 1.8 t -136.72 60.69 1.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 3.1499999999999999 110.381 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' LYS . . . . . 0.403 ' CB ' ' HB3' ' A' ' 450' ' ' GLU . 0.0 OUTLIER -160.13 112.24 2.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 3.1200000000000001 109.265 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 11.3 p -133.68 81.74 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 1.8600000000000001 110.393 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' LEU . . . . . 0.761 HD11 ' CB ' ' A' ' 466' ' ' SER . 23.5 tp -88.23 158.01 18.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 2.8100000000000001 109.296 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 464' ' ' SER . 0.4 OUTLIER -93.98 134.52 36.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 3.3100000000000001 109.315 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 463' ' ' LYS . 4.8 t -37.95 -41.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.152 . . . . 1.5700000000000001 110.016 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 26.8 p30 -112.19 72.2 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 2.8999999999999999 109.33 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . 0.761 ' CB ' HD11 ' A' ' 462' ' ' LEU . 67.5 p -109.85 -14.25 14.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 2.79 110.051 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 467' ' ' TRP . . . . . 0.517 ' CZ2' ' CD2' ' A' ' 462' ' ' LEU . 3.5 m-90 -103.91 -53.03 2.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 7.1399999999999997 108.015 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 468' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 281' ' ' LEU . 9.0 t80 -39.98 -47.54 2.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 7.29 110.994 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 119.15 54.96 0.27 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 2.3900000000000001 111.005 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 470' ' ' CYS . . . . . 1.288 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 N-CA-C 108.29 -1.004 . . . . 3.2999999999999998 108.29 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 471' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 277' ' ' MET . . . . . 0.95 ' HB2' HG11 ' A' ' 318' ' ' VAL . 2.4 mtt . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 120.459 0.171 . . . . 9.1999999999999993 111.009 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.61 68.05 71.83 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.585 1.178 . . . . 8.9700000000000006 110.297 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -72.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.532 1.807 . . . . 4.5599999999999996 111.024 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 280' ' ' ALA . . . . . 0.418 ' HB1' ' HB2' ' A' ' 283' ' ' ASP . . . -135.84 -54.06 0.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 4.5899999999999999 109.28 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 281' ' ' LEU . . . . . . . . . . . . . 63.1 mt 44.58 30.01 0.47 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.473 1.108 . . . . 3.7999999999999998 109.321 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 282' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -177.8 40.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 3.1400000000000001 108.295 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 283' ' ' ASP . . . . . 0.418 ' HB2' ' HB1' ' A' ' 280' ' ' ALA . 0.4 OUTLIER -174.2 127.06 0.44 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.097 . . . . 3.4700000000000002 109.292 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 73.77 4.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.512 1.796 . . . . 2.2799999999999998 110.982 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -136.1 21.86 3.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 3.1499999999999999 109.278 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.44 157.59 16.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 2.6800000000000002 109.3 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 83.2 p -136.91 153.34 50.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 1.6499999999999999 110.014 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -117.07 164.29 14.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.093 . . . . 1.8799999999999999 110.98 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.5 -62.55 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 2.9900000000000002 109.264 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 333' ' ' GLU . . . -152.19 145.91 25.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 1.3200000000000001 109.328 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 291' ' ' VAL . . . . . . . . . . . . . 55.5 t -128.48 145.85 34.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 2.6000000000000001 109.305 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . 0.667 HG21 ' CD ' ' A' ' 337' ' ' GLU . 11.6 t -140.06 166.14 25.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 1.72 110.404 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 293' ' ' THR . . . . . 0.587 HG21 ' HB2' ' A' ' 435' ' ' SER . 4.4 t -121.64 129.53 52.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 2.52 110.411 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 294' ' ' VAL . . . . . 0.458 ' O ' HG12 ' A' ' 294' ' ' VAL . 3.5 t -149.82 97.11 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 2.3599999999999999 109.289 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 76.13 43.69 20.53 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 3.3700000000000001 110.968 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 296' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 296' ' ' ASN . 30.5 t30 61.95 25.73 15.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 0.767 . . . . 4.8499999999999996 109.286 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.76 ' HA ' HG21 ' A' ' 310' ' ' VAL . 9.8 mtmt -112.45 131.83 55.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 3.1499999999999999 109.301 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 298' ' ' ILE . . . . . 0.671 HD12 ' HZ ' ' A' ' 300' ' ' PHE . 3.3 pt -107.07 110.91 33.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 2.4399999999999999 109.286 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 299' ' ' PHE . . . . . 0.71 ' CD2' HD21 ' A' ' 308' ' ' LEU . 48.5 m-85 -101.24 117.23 34.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 2.8799999999999999 111.008 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 300' ' ' PHE . . . . . 0.671 ' HZ ' HD12 ' A' ' 298' ' ' ILE . 6.5 m-85 -99.89 93.45 5.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 3.0699999999999998 110.994 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 301' ' ' PHE . . . . . 0.572 ' CE1' ' HB3' ' A' ' 299' ' ' PHE . 19.8 m-85 -83.86 161.52 20.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 3.1899999999999999 111.04 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 302' ' ' LYS . . . . . 0.469 ' O ' ' O ' ' A' ' 305' ' ' PHE . 0.0 OUTLIER -174.85 145.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 3.48 109.303 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 303' ' ' ASP . . . . . 0.422 ' O ' ' HB2' ' A' ' 304' ' ' ARG . 0.5 OUTLIER -43.43 148.92 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 4.0300000000000002 109.261 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 304' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 303' ' ' ASP . 0.0 OUTLIER 71.89 -74.25 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 4.6900000000000004 110.27 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . 0.469 ' O ' ' O ' ' A' ' 302' ' ' LYS . 27.5 m-85 -135.08 169.81 16.86 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.462 1.101 . . . . 2.5299999999999998 110.95 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 306' ' ' PHE . . . . . 0.427 ' CD2' HG13 ' A' ' 321' ' ' ILE . 43.1 p90 -127.94 -179.01 4.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 1.8400000000000001 110.936 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 307' ' ' TRP . . . . . . . . . . . . . 7.6 m-90 -128.87 150.54 50.3 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.939 -1.134 . . . . 4.2400000000000002 107.939 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.71 HD21 ' CD2' ' A' ' 299' ' ' PHE . 0.2 OUTLIER -139.39 132.04 28.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 2.4300000000000002 109.302 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 309' ' ' LYS . . . . . 0.428 ' CD ' ' O ' ' A' ' 315' ' ' LYS . 15.4 tptt -156.63 90.18 1.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 2.1499999999999999 109.36 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . 0.76 HG21 ' HA ' ' A' ' 297' ' ' LYS . 8.7 p -175.34 176.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 2.2400000000000002 109.282 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . 0.67 ' H ' HG22 ' A' ' 310' ' ' VAL . 24.2 t 63.94 -98.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 4.3799999999999999 110.026 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -148.02 75.98 1.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.08 . . . . 4.7999999999999998 110.321 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 313' ' ' ARG . . . . . 0.423 ' NE ' ' H ' ' A' ' 313' ' ' ARG . 0.0 OUTLIER -111.31 157.19 39.72 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 9.8300000000000001 110.356 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -53.27 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.777 . . . . 3.4500000000000002 110.977 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 315' ' ' LYS . . . . . 0.547 ' HG2' ' CE2' ' A' ' 468' ' ' PHE . 0.4 OUTLIER -140.57 -77.44 0.3 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 4.2800000000000002 109.266 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . 0.505 HG23 ' C ' ' A' ' 315' ' ' LYS . 40.9 p -156.07 -179.31 8.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 1.6699999999999999 110.421 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.33 144.36 50.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 2.46 109.985 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 318' ' ' VAL . . . . . 0.95 HG11 ' HB2' ' A' ' 277' ' ' MET . 3.7 t -139.38 68.39 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.112 . . . . 2.2599999999999998 109.373 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -122.44 175.96 6.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.419 1.075 . . . . 2.8700000000000001 109.242 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.442 ' CD2' ' HB2' ' A' ' 322' ' ' SER . 0.5 OUTLIER -94.92 152.67 18.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 1.79 109.314 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 321' ' ' ILE . . . . . 0.427 HG13 ' CD2' ' A' ' 306' ' ' PHE . 1.1 mp -65.27 -64.31 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 1.1899999999999999 109.329 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 322' ' ' SER . . . . . 0.442 ' HB2' ' CD2' ' A' ' 320' ' ' LEU . 69.7 m -43.67 -29.2 0.48 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 2.0600000000000001 109.997 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 4.8 t -54.69 -40.5 69.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 1.27 110.01 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.47 -83.09 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.085 . . . . 2.1699999999999999 109.34 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 1.5 m0 -50.15 152.28 3.04 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 107.964 -1.124 . . . . 1.6599999999999999 107.964 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -88.42 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.558 1.82 . . . . 1.05 110.993 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 327' ' ' THR . . . . . 0.919 ' O ' HD22 ' A' ' 328' ' ' LEU . 9.7 t -100.22 93.01 5.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 1.3600000000000001 110.394 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.919 HD22 ' O ' ' A' ' 327' ' ' THR . 3.4 mm? -136.9 147.02 57.44 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 1.1299999999999999 109.344 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 329' ' ' PRO . . . . . 0.463 ' HD2' ' CD1' ' A' ' 328' ' ' LEU . 18.6 Cg_endo -74.87 157.66 43.18 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.515 1.798 . . . . 2.04 111.077 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.6 140.77 35.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 2.52 109.969 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . 0.402 ' CA ' ' HA ' ' A' ' 303' ' ' ASP . . . 72.27 57.46 5.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 1.22 110.944 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.421 HG21 HD12 ' A' ' 346' ' ' LEU . 50.1 mm -58.27 140.29 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 0.742 . . . . 2.1600000000000001 109.293 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . 0.516 ' O ' ' HB2' ' A' ' 290' ' ' ALA . 3.7 mt-10 -89.51 -51.67 5.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 3.4900000000000002 110.29 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 334' ' ' ALA . . . . . 0.432 ' HB3' ' CB ' ' A' ' 347' ' ' PHE . . . -129.82 164.4 24.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 1.3899999999999999 109.289 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -154.81 133.66 12.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 1.05 109.298 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 336' ' ' TYR . . . . . 0.593 ' C ' ' CD1' ' A' ' 336' ' ' TYR . 0.1 OUTLIER -145.14 92.51 2.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 4.3300000000000001 111.004 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 337' ' ' GLU . . . . . 0.667 ' CD ' HG21 ' A' ' 292' ' ' THR . 2.5 mp0 -87.16 164.42 16.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 6.0700000000000003 110.303 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . 0.617 HD12 ' HB3' ' A' ' 340' ' ' ALA . 0.2 OUTLIER -154.13 111.42 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 4.8799999999999999 109.37 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -71.81 -38.08 70.28 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.522 1.139 . . . . 4.4299999999999997 110.262 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . 0.617 ' HB3' HD12 ' A' ' 338' ' ' ILE . . . -43.38 -35.02 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 2.4100000000000001 109.354 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 341' ' ' ARG . . . . . 0.443 ' HG3' HG21 ' A' ' 338' ' ' ILE . 0.0 OUTLIER -109.38 -19.07 13.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 4.5300000000000002 110.361 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 68.01 44.94 1.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 3.3199999999999998 109.25 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . 0.689 ' NE2' HD21 ' A' ' 354' ' ' LEU . 32.2 mt-30 -114.47 171.23 7.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 2.3500000000000001 110.278 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 344' ' ' VAL . . . . . 0.522 HG12 ' CD2' ' A' ' 346' ' ' LEU . 24.9 t -138.81 106.57 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 1.8999999999999999 109.352 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 345' ' ' PHE . . . . . 0.704 ' C ' HD22 ' A' ' 346' ' ' LEU . 88.6 m-85 -103.99 130.35 51.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 3.8300000000000001 110.937 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 0.704 HD22 ' C ' ' A' ' 345' ' ' PHE . 3.2 mm? -119.51 163.14 17.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 1.53 109.283 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 347' ' ' PHE . . . . . 0.432 ' CB ' ' HB3' ' A' ' 334' ' ' ALA . 20.9 m-85 -137.34 137.81 39.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 2.4900000000000002 111.035 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 348' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.1 OUTLIER -166.2 125.41 1.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.414 1.071 . . . . 3.3700000000000001 109.298 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.4 t70 53.54 -151.84 0.32 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 3.02 109.341 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 350' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -89.37 41.92 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 4.7000000000000002 109.297 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 348' ' ' LYS . 5.3 mttp -155.19 154.17 31.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.605 1.191 . . . . 1.8799999999999999 109.3 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 352' ' ' TYR . . . . . 0.633 ' HD2' HG23 ' A' ' 368' ' ' ILE . 26.0 p90 -140.0 141.38 36.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 2.5699999999999998 111.028 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -101.99 156.56 17.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 6.0999999999999996 108.012 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 354' ' ' LEU . . . . . 0.689 HD21 ' NE2' ' A' ' 343' ' ' GLN . 2.8 tm? -121.06 131.68 54.42 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 1.093 . . . . 2.8599999999999999 109.268 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.522 ' N ' HD13 ' A' ' 354' ' ' LEU . 3.9 mp -130.62 93.56 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 1.46 109.255 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 86.2 p -98.51 135.22 40.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 1.6799999999999999 110.023 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 357' ' ' ASN . . . . . 0.581 ' O ' HD23 ' A' ' 358' ' ' LEU . 8.6 m120 60.44 43.06 13.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.124 . . . . 2.8300000000000001 109.263 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 357' ' ' ASN . 0.3 OUTLIER 54.07 36.85 25.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 2.9199999999999999 109.292 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 10.3 mmm-85 -149.2 129.32 6.66 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 4.0199999999999996 110.319 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 360' ' ' PRO . . . . . 0.446 ' HA ' ' O ' ' A' ' 354' ' ' LEU . 18.2 Cg_endo -75.03 165.35 31.46 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.459 1.768 . . . . 1.6100000000000001 110.998 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 361' ' ' GLU . . . . . 0.603 ' OE2' ' CE1' ' A' ' 364' ' ' TYR . 0.7 OUTLIER -81.15 165.49 44.5 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 3.0600000000000001 110.255 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 362' ' ' PRO . . . . . 0.54 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.2 Cg_endo -75.02 56.03 4.14 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.457 1.767 . . . . 2.3999999999999999 110.972 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 363' ' ' ASN . . . . . 0.54 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 1.7 m-20 84.96 102.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 4.3799999999999999 109.221 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 364' ' ' TYR . . . . . 0.603 ' CE1' ' OE2' ' A' ' 361' ' ' GLU . 0.1 OUTLIER -127.77 65.97 69.35 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 3.0499999999999998 111.011 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . 0.424 ' HD3' ' C ' ' A' ' 363' ' ' ASN . 18.2 Cg_endo -75.05 56.97 4.45 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.484 1.781 . . . . 1.2 111.013 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 366' ' ' LYS . . . . . 0.562 ' HE3' ' CE1' ' A' ' 364' ' ' TYR . 0.8 OUTLIER -83.64 -179.49 7.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 1.75 109.308 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 2.2 m -148.7 137.85 21.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 1.9199999999999999 110.015 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . 0.633 HG23 ' HD2' ' A' ' 352' ' ' TYR . 27.5 pt -59.92 -17.8 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 1.96 109.324 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 369' ' ' HIS . . . . . 0.472 ' CA ' ' HB2' ' A' ' 373' ' ' PHE . 0.1 OUTLIER -60.52 -35.19 75.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 2.8500000000000001 109.628 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 18.3 t -64.19 -10.55 23.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 2.4700000000000002 110.014 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -96.12 33.47 1.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 5.7800000000000002 110.98 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . 112.09 -43.25 1.76 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 3.5899999999999999 110.975 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 373' ' ' PHE . . . . . 0.472 ' HB2' ' CA ' ' A' ' 369' ' ' HIS . 0.8 OUTLIER 54.71 95.67 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.535 0.785 . . . . 4.79 111.046 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 374' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -163.94 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.56 1.821 . . . . 2.3900000000000001 110.994 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 32.5 p30 -116.3 51.22 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 5.1299999999999999 109.272 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 178.09 36.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 7.8499999999999996 110.96 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 377' ' ' VAL . . . . . 0.414 ' O ' ' CB ' ' A' ' 378' ' ' LYS . 2.2 p -117.75 157.44 19.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.526 1.141 . . . . 2.4500000000000002 109.307 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 378' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 377' ' ' VAL . 1.9 mtmt 169.86 -36.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 3.4700000000000002 109.309 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . 0.417 ' O ' HG13 ' A' ' 396' ' ' VAL . 3.7 pttt -149.97 127.58 11.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 1.76 109.326 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . 0.602 HD11 HD13 ' A' ' 368' ' ' ILE . 9.6 mt -92.71 143.56 11.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 1.03 109.244 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.76 -49.69 7.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 1.8200000000000001 109.368 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -159.04 167.5 29.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.69999999999999996 109.286 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -149.06 120.58 7.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.75 109.332 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . 0.58 ' O ' HG23 ' A' ' 392' ' ' THR . 12.2 p -126.82 154.6 36.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 1.98 109.267 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -102.19 155.76 18.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.8500000000000001 110.98 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -141.96 96.24 6.7 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 2.3999999999999999 109.236 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -11.68 21.48 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.525 1.803 . . . . 1.8899999999999999 110.98 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -75.23 -24.98 57.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 2.1200000000000001 110.291 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.46 4.52 7.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 2.79 110.983 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 54.09 31.15 13.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 2.4300000000000002 111.013 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 391' ' ' ARG . . . . . 0.438 ' NH1' ' OD2' ' A' ' 411' ' ' ASP . 6.4 mtt180 -131.08 165.7 22.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 3.0699999999999998 110.266 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 392' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 384' ' ' VAL . 50.9 m -125.92 132.84 52.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.75 110.342 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . 0.4 ' CE2' ' OH ' ' A' ' 400' ' ' TYR . 6.3 m-85 -80.19 140.81 36.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 1.9099999999999999 110.964 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -128.59 113.37 15.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.414 1.071 . . . . 2.25 111.047 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . 0.53 ' CD2' HG21 ' A' ' 429' ' ' ILE . 23.2 m-85 -98.03 120.06 37.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 1.3100000000000001 111.006 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 396' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 379' ' ' LYS . 5.1 t -145.15 130.85 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 1.6399999999999999 109.304 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 1.5 t0 50.49 -153.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 3.29 109.328 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -89.04 49.63 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.591 1.182 . . . . 4.0199999999999996 109.261 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -147.46 159.52 43.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 2.7200000000000002 110.282 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 400' ' ' TYR . . . . . 0.4 ' OH ' ' CE2' ' A' ' 393' ' ' TYR . 2.6 t80 -116.65 109.6 17.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 2.3700000000000001 111.003 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -107.24 154.46 21.2 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 5.46 108.044 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -148.43 125.3 11.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 2.6000000000000001 110.288 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 403' ' ' TYR . . . . . 0.464 ' CD2' ' HB3' ' A' ' 410' ' ' MET . 5.8 m-85 -105.01 167.0 9.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.408 1.068 . . . . 6.7999999999999998 110.975 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.31 128.04 54.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 2.1499999999999999 109.327 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -87.03 -40.87 14.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 2.6400000000000001 110.291 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -64.88 0.79 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 5.6299999999999999 110.388 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -41.93 96.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 3.4700000000000002 110.29 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 77.46 40.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 3.2599999999999998 110.26 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.27 105.22 4.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 2.1499999999999999 110.994 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 410' ' ' MET . . . . . 0.464 ' HB3' ' CD2' ' A' ' 403' ' ' TYR . 0.2 OUTLIER -55.48 133.14 49.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 3.0099999999999998 110.945 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . 0.438 ' OD2' ' NH1' ' A' ' 391' ' ' ARG . 0.2 OUTLIER -51.13 139.87 23.39 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 2.6400000000000001 109.298 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 110.44 3.12 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.525 1.803 . . . . 2.5299999999999998 110.983 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 49.96 101.53 0.01 OUTLIER Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.464 1.102 . . . . 1.9399999999999999 110.952 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 414' ' ' TYR . . . . . 0.558 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 2.0 t80 -133.97 62.84 59.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.481 0.754 . . . . 1.8500000000000001 111.034 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 415' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.1 Cg_endo -75.08 66.64 6.08 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 1.3600000000000001 110.992 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . 0.558 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 15.0 mmtt -84.83 -172.38 4.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 2.2999999999999998 109.304 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.26 132.83 38.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 1.8600000000000001 109.266 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.641 ' H ' HD12 ' A' ' 418' ' ' ILE . 3.6 mp -60.64 -73.45 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 1.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 418' ' ' ILE . 0.7 OUTLIER -38.64 -30.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 1.6000000000000001 110.383 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 418' ' ' ILE . 31.5 mttt -70.36 -58.45 3.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 1.79 109.286 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -59.95 -47.58 85.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 2.6899999999999999 109.281 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 422' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -122.24 101.39 7.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 2.6800000000000002 110.948 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -88.88 115.91 26.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 1.8899999999999999 110.276 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 140.15 -29.42 2.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 1.99 110.968 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 425' ' ' ILE . . . . . 0.509 HD12 HD13 ' A' ' 429' ' ' ILE . 20.2 pt -85.06 -48.57 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 2.3100000000000001 109.298 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 127.82 169.7 12.7 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.112 . . . . 1.1100000000000001 111.079 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . 0.483 ' O ' HD13 ' A' ' 418' ' ' ILE . 18.5 Cg_endo -74.97 -16.08 20.47 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.498 1.789 . . . . 1.3200000000000001 111.056 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.4 134.87 54.7 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 2.3700000000000001 109.305 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 429' ' ' ILE . . . . . 0.904 HD11 ' HB3' ' A' ' 442' ' ' PHE . 5.7 tp -115.41 148.0 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 1.6899999999999999 109.267 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 443' ' ' PHE . 7.2 t0 -107.01 -63.11 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 2.6899999999999999 109.341 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.658 ' HB3' ' HB2' ' A' ' 443' ' ' PHE . . . -131.07 147.89 52.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 1.24 109.253 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.413 ' CG2' HG12 ' A' ' 429' ' ' ILE . 21.3 t -145.75 128.43 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 2.6699999999999999 109.286 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 441' ' ' TYR . 26.7 p90 -146.45 138.89 25.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 2.8500000000000001 111.064 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -119.68 120.02 35.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 3.2599999999999998 110.982 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . 0.587 ' HB2' HG21 ' A' ' 293' ' ' THR . 10.9 t -134.3 9.99 3.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 3.5699999999999998 110.005 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' LYS . . . . . 0.469 ' CB ' ' HB2' ' A' ' 439' ' ' TYR . 0.2 OUTLIER -100.41 -154.35 0.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 4.9800000000000004 109.334 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -109.83 -39.44 5.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 4.54 109.265 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 438' ' ' LYS . 0.3 OUTLIER -147.31 39.37 0.99 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.402 1.064 . . . . 5.7999999999999998 109.369 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' TYR . . . . . 0.469 ' HB2' ' CB ' ' A' ' 436' ' ' LYS . 86.7 m-85 -138.06 147.27 43.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 3.5800000000000001 111.016 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' TYR . . . . . 0.424 ' HB2' ' CE1' ' A' ' 442' ' ' PHE . 7.4 m-85 -128.05 136.48 51.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 3.48 110.942 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' TYR . . . . . 0.553 ' HB3' ' CE2' ' A' ' 433' ' ' PHE . 83.8 m-85 -105.05 130.36 53.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 3.2999999999999998 111.009 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . 0.904 ' HB3' HD11 ' A' ' 429' ' ' ILE . 37.0 m-85 -123.3 149.81 44.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 3.1699999999999999 111.016 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' PHE . . . . . 0.658 ' HB2' ' HB3' ' A' ' 431' ' ' ALA . 1.5 m-85 -123.54 122.08 37.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 4.25 110.969 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . 0.44 ' O ' ' ND2' ' A' ' 447' ' ' ASN . 0.0 OUTLIER -126.97 77.58 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 3.7200000000000002 110.313 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 98.11 -113.56 4.76 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.442 1.089 . . . . 2.4900000000000002 111.048 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 67.9 p -111.47 11.44 21.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 2.0899999999999999 109.989 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 444' ' ' GLN . 0.2 OUTLIER -132.92 133.23 42.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 2.02 109.277 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' GLN . . . . . 0.561 ' HG2' HD23 ' A' ' 462' ' ' LEU . 0.1 OUTLIER -113.5 134.82 54.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 4.0099999999999998 110.247 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' PHE . . . . . 0.463 ' HB2' HG22 ' A' ' 425' ' ' ILE . 92.0 m-85 -108.27 151.19 26.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 2.7599999999999998 110.979 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 0.538 ' OE1' ' CE1' ' A' ' 441' ' ' TYR . 57.2 tt0 -124.13 100.42 6.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 3.04 110.331 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -79.62 119.84 23.12 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.541 1.151 . . . . 3.02 111.035 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.17 158.55 16.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 4.21 109.282 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -90.82 -10.91 41.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 4.0099999999999998 111.009 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 12.2 tp -47.06 -34.97 6.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 3.1899999999999999 109.304 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.476 HD13 ' HB2' ' A' ' 457' ' ' ARG . 0.3 OUTLIER -168.08 32.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 3.1400000000000001 109.242 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 44.3 58.72 3.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 3.0099999999999998 110.326 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' ARG . . . . . 0.476 ' HB2' HD13 ' A' ' 455' ' ' LEU . 2.7 mmm180 -140.96 175.65 9.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.612 1.195 . . . . 4.0199999999999996 110.277 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' ILE . . . . . 0.463 HG21 ' HD2' ' A' ' 449' ' ' PHE . 11.4 mt -110.29 121.57 63.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 1.8500000000000001 109.291 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 13.6 t -110.79 -19.81 12.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 2.3799999999999999 110.452 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' LYS . . . . . 0.521 ' O ' HG23 ' A' ' 461' ' ' THR . 0.0 OUTLIER -112.37 134.48 53.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 4.8799999999999999 109.33 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 460' ' ' LYS . 4.0 p -155.12 87.07 1.11 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.529 1.143 . . . . 2.4900000000000002 110.354 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' LEU . . . . . 0.561 HD23 ' HG2' ' A' ' 448' ' ' GLN . 0.0 OUTLIER -105.63 150.82 25.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 2.9900000000000002 109.27 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 31.5 mtpt -95.48 159.98 14.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.588 1.18 . . . . 3.2999999999999998 109.307 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 16.9 t -51.8 -44.59 63.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 2.02 109.991 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -94.08 51.59 1.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 3.1800000000000002 109.305 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . 0.455 ' HB3' HD12 ' A' ' 462' ' ' LEU . 0.2 OUTLIER -128.5 51.75 1.97 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 2.6099999999999999 110.04 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -177.89 -40.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 4.5800000000000001 108.013 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 468' ' ' PHE . . . . . 0.567 ' C ' ' CD1' ' A' ' 468' ' ' PHE . 0.1 OUTLIER -61.08 -28.37 69.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 7.2800000000000002 111.022 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 113.79 42.27 0.87 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.525 1.141 . . . . 2.48 111.024 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 N-CA-C 108.387 -0.968 . . . . 3.5299999999999998 108.387 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 471' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 277' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.482 0.182 . . . . 7.2699999999999996 110.984 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 40.21 79.92 0.3 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 6.9699999999999998 110.296 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 279' ' ' PRO . . . . . 0.569 ' HB2' HD11 ' A' ' 286' ' ' LEU . 18.2 Cg_endo -75.03 83.15 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.491 1.785 . . . . 3.3500000000000001 110.988 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 280' ' ' ALA . . . . . 0.534 ' HB1' ' HB2' ' A' ' 283' ' ' ASP . . . -46.03 96.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 3.1000000000000001 109.272 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 281' ' ' LEU . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 468' ' ' PHE . 15.6 mt -67.6 -35.64 79.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.586 1.179 . . . . 2.5899999999999999 109.31 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 282' ' ' CYS . . . . . . . . . . . . . 7.2 t -96.78 57.97 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 2.8300000000000001 108.288 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 283' ' ' ASP . . . . . 0.534 ' HB2' ' HB1' ' A' ' 280' ' ' ALA . 11.6 m-20 -167.7 127.4 1.08 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 3.1800000000000002 109.342 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 81.92 2.12 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.552 1.817 . . . . 1.76 111.023 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 285' ' ' ASN . . . . . 0.447 HD22 ' N ' ' A' ' 285' ' ' ASN . 0.0 OUTLIER -174.93 34.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 2.6699999999999999 109.338 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 286' ' ' LEU . . . . . 0.569 HD11 ' HB2' ' A' ' 279' ' ' PRO . 0.9 OUTLIER -101.69 139.34 37.47 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 2.1899999999999999 109.371 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 56.8 p -132.36 151.22 51.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 1.3899999999999999 110.016 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 288' ' ' PHE . . . . . 0.769 ' CE2' ' CD1' ' A' ' 300' ' ' PHE . 16.8 m-85 -119.88 166.05 13.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 2.7999999999999998 110.983 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.0 -62.6 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 2.2599999999999998 109.281 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -127.65 160.61 31.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.87 109.288 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 291' ' ' VAL . . . . . 0.984 HG22 ' HB1' ' A' ' 431' ' ' ALA . 16.9 m -142.85 135.91 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 2.0099999999999998 109.306 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . 0.472 ' OG1' ' HB1' ' A' ' 335' ' ' ALA . 1.6 m -151.72 158.51 43.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 2.1800000000000002 110.36 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 9.4 t -129.08 149.61 50.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 2.4700000000000002 110.43 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 53.0 t -130.94 71.72 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 1.76 109.308 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 94.33 -107.55 3.56 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.575 1.172 . . . . 1.71 111.033 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 296' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 296' ' ' ASN . 2.5 p-10 -108.46 18.21 21.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 0.738 . . . . 4.1600000000000001 109.252 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.713 ' HA ' HG23 ' A' ' 310' ' ' VAL . 0.0 OUTLIER -125.32 153.63 43.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 3.6200000000000001 109.283 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 298' ' ' ILE . . . . . 0.496 ' C ' HD12 ' A' ' 298' ' ' ILE . 2.2 pp -124.1 172.17 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 3.2999999999999998 109.289 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -144.2 125.87 15.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 2.2599999999999998 111.002 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 300' ' ' PHE . . . . . 0.769 ' CD1' ' CE2' ' A' ' 288' ' ' PHE . 4.8 m-85 -109.06 98.52 7.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 2.9500000000000002 110.992 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -80.59 143.15 33.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 2.4300000000000002 110.974 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -111.78 -63.45 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.165 . . . . 3.21 109.291 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -167.54 -60.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 3.6699999999999999 109.252 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.16 -27.99 8.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 6.1299999999999999 110.27 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . 0.685 ' CE1' HD12 ' A' ' 320' ' ' LEU . 24.5 m-85 -113.72 161.31 17.67 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 2.9199999999999999 111.043 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 306' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -123.51 135.46 54.05 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.594 1.184 . . . . 1.79 111.021 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 307' ' ' TRP . . . . . 0.488 ' CE2' HG22 ' A' ' 318' ' ' VAL . 1.4 m-90 -90.13 146.97 23.89 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.963 -1.125 . . . . 4.9100000000000001 107.963 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.65 79.31 1.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 1.77 109.312 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -105.26 88.55 2.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 2.02 109.299 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . 0.713 HG23 ' HA ' ' A' ' 297' ' ' LYS . 4.9 p -105.65 178.53 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.621 1.2 . . . . 2.77 109.35 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . 0.69 ' H ' HG22 ' A' ' 310' ' ' VAL . 10.9 t -67.18 139.03 57.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 5.3899999999999997 110.031 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 70.49 41.41 0.98 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 5.6200000000000001 110.298 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -106.31 130.1 23.49 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 4.6299999999999999 110.317 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -36.1 2.71 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.538 1.81 . . . . 2.4500000000000002 111.044 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -156.28 162.72 40.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.093 . . . . 4.21 109.311 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 24.4 p -80.17 144.04 33.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 1.53 110.409 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.19 156.89 18.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 2.0499999999999998 109.986 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 318' ' ' VAL . . . . . 0.506 ' O ' HG12 ' A' ' 318' ' ' VAL . 84.4 t -142.98 65.57 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 1.97 109.293 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -105.32 -179.56 3.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 1.9399999999999999 109.274 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.685 HD12 ' CE1' ' A' ' 305' ' ' PHE . 0.6 OUTLIER -103.69 158.15 16.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 1.8100000000000001 109.232 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 321' ' ' ILE . . . . . . . . . . . . . 4.1 mt -68.26 -72.74 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 1.1000000000000001 109.297 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 62.2 m -41.55 -32.91 0.39 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 2.0899999999999999 110.026 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.39 -46.43 6.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 1.28 109.938 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.94 -76.72 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 1.97 109.281 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 325' ' ' TRP . . . . . 0.467 ' HB3' HD23 ' A' ' 328' ' ' LEU . 0.5 OUTLIER -46.94 148.25 1.96 Allowed Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.519 1.137 . . . . 1.5600000000000001 108.067 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -74.99 -74.22 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.525 1.803 . . . . 1.23 110.996 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 327' ' ' THR . . . . . 0.891 ' O ' HD22 ' A' ' 328' ' ' LEU . 73.9 m -111.66 94.11 4.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 2.8599999999999999 110.468 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.891 HD22 ' O ' ' A' ' 327' ' ' THR . 3.2 mm? -137.21 141.24 33.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 1.21 109.309 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 329' ' ' PRO . . . . . 0.431 ' HD2' ' CD1' ' A' ' 328' ' ' LEU . 18.3 Cg_endo -74.96 158.02 42.61 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.533 1.807 . . . . 2.0600000000000001 111.051 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 8.3 p -108.89 152.26 25.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 2.3999999999999999 109.962 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 74.28 45.33 25.2 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.49 1.119 . . . . 1.45 110.991 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.511 ' CD1' HD13 ' A' ' 346' ' ' LEU . 20.5 mt -58.17 129.66 20.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.403 0.707 . . . . 1.6000000000000001 109.339 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.61 -37.72 14.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.383 1.052 . . . . 3.0299999999999998 110.29 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 334' ' ' ALA . . . . . 0.607 ' HB1' ' HA ' ' A' ' 382' ' ' ALA . . . -136.11 157.36 47.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 1.9199999999999999 109.308 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . 0.472 ' HB1' ' OG1' ' A' ' 292' ' ' THR . . . -146.09 108.67 4.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 1.04 109.317 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 336' ' ' TYR . . . . . 0.718 ' HB2' ' HB3' ' A' ' 383' ' ' ALA . 34.9 t80 -103.8 147.03 27.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 3.75 111.014 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -116.36 124.4 49.97 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.442 1.089 . . . . 4.8899999999999997 110.247 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . 0.674 HG23 ' O ' ' A' ' 338' ' ' ILE . 3.4 tt -97.96 74.8 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 4.0999999999999996 109.269 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.3 63.99 0.15 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.143 . . . . 3.6699999999999999 110.339 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 338' ' ' ILE . . . -140.58 -67.46 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 2.3100000000000001 109.255 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 19.5 ptp180 -94.63 10.04 36.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 4.1200000000000001 110.276 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 54.9 t30 61.47 79.12 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.173 . . . . 2.3700000000000001 109.337 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -150.95 162.42 40.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 2.6699999999999999 110.311 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 344' ' ' VAL . . . . . 0.54 ' O ' HG22 ' A' ' 355' ' ' ILE . 87.4 t -117.3 133.42 64.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 1.5 109.31 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 345' ' ' PHE . . . . . 0.447 ' O ' HD23 ' A' ' 346' ' ' LEU . 5.2 m-85 -122.67 141.49 51.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 2.6699999999999999 111.026 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 0.704 HD12 HD12 ' A' ' 328' ' ' LEU . 85.2 mt -127.35 169.86 13.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.495 1.122 . . . . 2.5 109.282 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 347' ' ' PHE . . . . . 0.499 ' HB2' ' HB3' ' A' ' 334' ' ' ALA . 33.4 m-85 -138.28 143.34 39.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 2.5899999999999999 111.02 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 348' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.1 OUTLIER -163.76 117.54 1.51 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 4.54 109.273 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 5.4 t0 54.45 -150.88 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 3.1299999999999999 109.28 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 350' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 3.9 t70 -87.88 41.34 0.99 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 4.29 109.242 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.419 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 2.7 mtmp? -155.07 152.77 29.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 2.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 352' ' ' TYR . . . . . 0.703 ' HD2' HG23 ' A' ' 368' ' ' ILE . 29.6 p90 -141.25 155.68 45.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 2.6000000000000001 110.999 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 3.5 m-90 -116.65 163.37 16.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 4.2999999999999998 107.973 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 354' ' ' LEU . . . . . 0.41 HD13 ' CE1' ' A' ' 345' ' ' PHE . 0.3 OUTLIER -137.48 135.73 37.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 2.04 109.349 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.54 HG22 ' O ' ' A' ' 344' ' ' VAL . 1.0 OUTLIER -119.54 115.5 47.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 3.6800000000000002 109.292 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 6.3 t -116.16 134.5 54.86 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 1.78 109.989 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 357' ' ' ASN . . . . . 0.752 ' O ' HD23 ' A' ' 358' ' ' LEU . 48.1 m-20 56.38 46.19 21.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 3.4300000000000002 109.242 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . 0.752 HD23 ' O ' ' A' ' 357' ' ' ASN . 0.2 OUTLIER 54.12 27.45 7.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 3.3300000000000001 109.33 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 1.8 mmt-85 -143.05 127.46 9.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 3.6600000000000001 110.312 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 360' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 166.26 29.6 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.489 1.784 . . . . 1.8400000000000001 111.009 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -76.07 158.9 81.62 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.586 1.179 . . . . 2.5 110.299 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 362' ' ' PRO . . . . . 0.549 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.4 Cg_endo -74.87 59.75 5.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.468 1.772 . . . . 2.6499999999999999 111.021 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 363' ' ' ASN . . . . . 0.549 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 9.2 m-20 85.73 102.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 4.0899999999999999 109.304 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 364' ' ' TYR . . . . . 0.555 ' CD1' ' CE ' ' A' ' 366' ' ' LYS . 0.0 OUTLIER -128.99 65.99 75.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 3.0800000000000001 111.029 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 54.66 3.68 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.784 . . . . 1.21 111.077 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 366' ' ' LYS . . . . . 0.555 ' CE ' ' CD1' ' A' ' 364' ' ' TYR . 0.3 OUTLIER -79.47 178.22 8.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 2.1699999999999999 109.256 -179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.42 135.57 23.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 2.1099999999999999 109.996 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . 0.703 HG23 ' HD2' ' A' ' 352' ' ' TYR . 1.1 pp -61.73 -16.47 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.43 1.081 . . . . 1.99 109.328 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 369' ' ' HIS . . . . . 0.485 ' CA ' ' HB2' ' A' ' 373' ' ' PHE . 0.0 OUTLIER -71.05 -37.56 72.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 2.8700000000000001 109.546 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.59 -9.94 15.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 2.3700000000000001 109.977 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.97 5.21 51.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 6.0199999999999996 111.014 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 372' ' ' GLY . . . . . 0.424 ' O ' ' HB3' ' A' ' 373' ' ' PHE . . . 157.66 -64.79 0.3 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 3.2799999999999998 110.969 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 373' ' ' PHE . . . . . 0.581 ' CZ ' ' HA ' ' A' ' 375' ' ' ASN . 31.6 t80 58.08 95.04 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.54 0.788 . . . . 4.71 111.022 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 374' ' ' PRO . . . . . 0.54 ' HG2' HG13 ' A' ' 377' ' ' VAL . 18.3 Cg_endo -75.02 -1.13 10.83 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 2.7599999999999998 111.009 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 375' ' ' ASN . . . . . 0.581 ' HA ' ' CZ ' ' A' ' 373' ' ' PHE . 1.5 t-20 74.05 45.77 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 6.5999999999999996 109.326 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -159.53 -43.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 5.79 110.945 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 377' ' ' VAL . . . . . 0.54 HG13 ' HG2' ' A' ' 374' ' ' PRO . 34.6 m -48.82 170.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.586 1.179 . . . . 2.8399999999999999 109.331 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 378' ' ' LYS . . . . . 0.453 ' HG2' ' N ' ' A' ' 379' ' ' LYS . 0.0 OUTLIER -177.88 -35.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 5.1799999999999997 109.287 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . 0.453 ' N ' ' HG2' ' A' ' 378' ' ' LYS . 0.0 OUTLIER -149.61 132.54 16.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 1.6799999999999999 109.317 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . 0.443 HD12 ' CD1' ' A' ' 347' ' ' PHE . 11.9 mt -98.91 143.55 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.96999999999999997 109.287 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 381' ' ' ASP . . . . . 0.509 ' HB3' HG23 ' A' ' 429' ' ' ILE . 4.1 m-20 -81.11 -49.68 10.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 1.97 109.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 382' ' ' ALA . . . . . 0.729 ' HB3' HG12 ' A' ' 432' ' ' VAL . . . -168.1 171.46 9.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 1.3500000000000001 109.294 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 383' ' ' ALA . . . . . 0.718 ' HB3' ' HB2' ' A' ' 336' ' ' TYR . . . -153.53 130.75 11.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.88 109.284 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . 0.641 HG13 HG13 ' A' ' 432' ' ' VAL . 19.0 m -123.38 159.01 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 2.3300000000000001 109.273 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 385' ' ' PHE . . . . . 0.406 ' HB2' ' CE1' ' A' ' 336' ' ' TYR . 20.7 t80 -97.77 153.73 18.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 2.0499999999999998 111.056 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -137.77 93.6 12.15 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 2.5299999999999998 109.308 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -16.72 20.11 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.402 1.738 . . . . 2.04 111.016 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -75.42 -40.33 57.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.396 1.06 . . . . 2.0699999999999998 110.267 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -108.64 13.03 25.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 3.3100000000000001 110.979 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 41.83 51.32 4.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 2.5 110.972 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 -151.6 174.03 13.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.613 1.196 . . . . 3.1899999999999999 110.273 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 392' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 384' ' ' VAL . 18.3 m -131.59 133.78 45.36 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.555 1.159 . . . . 0.80000000000000004 110.386 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . 0.457 ' HB2' HG22 ' A' ' 384' ' ' VAL . 7.2 m-85 -80.42 134.99 36.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 1.8200000000000001 110.997 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 394' ' ' PHE . . . . . 0.501 ' CD1' ' CD1' ' A' ' 403' ' ' TYR . 2.4 m-85 -121.93 105.46 10.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.143 . . . . 2.2599999999999998 110.957 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . 0.496 ' CE2' HG11 ' A' ' 432' ' ' VAL . 81.6 m-85 -89.52 116.65 27.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 1.0900000000000001 110.995 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 10.7 m -143.36 131.69 19.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 2.8700000000000001 109.254 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 51.88 -154.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 4.4199999999999999 109.267 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -87.59 49.6 1.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 3.6600000000000001 109.324 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 399' ' ' GLN . . . . . 0.513 ' O ' HD11 ' A' ' 418' ' ' ILE . 0.7 OUTLIER -146.66 162.93 37.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 2.2999999999999998 110.219 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 400' ' ' TYR . . . . . 0.501 ' O ' ' CG ' ' A' ' 400' ' ' TYR . 0.4 OUTLIER -117.15 87.27 2.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 2.2000000000000002 110.996 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -82.42 156.66 24.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 4.9699999999999998 108.0 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -154.09 127.17 8.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 3.46 110.253 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 403' ' ' TYR . . . . . 0.526 ' CD2' ' HB3' ' A' ' 410' ' ' MET . 9.1 m-85 -106.08 177.3 4.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 6.9800000000000004 110.96 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -119.71 129.62 54.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 2.5600000000000001 109.294 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -86.19 -50.3 7.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 3.7400000000000002 110.301 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -59.07 -64.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 8.0600000000000005 110.294 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.79 -39.56 92.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 2.9100000000000001 110.275 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 71.59 46.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 2.6000000000000001 110.329 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 11.4 tpt -144.91 108.86 4.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 2.3300000000000001 110.951 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 410' ' ' MET . . . . . 0.526 ' HB3' ' CD2' ' A' ' 403' ' ' TYR . 0.0 OUTLIER -57.87 129.27 41.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.578 1.174 . . . . 2.0800000000000001 110.943 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.93 135.66 56.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 2.6699999999999999 109.293 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 113.11 3.72 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.448 1.762 . . . . 2.3599999999999999 110.99 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 49.86 101.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.467 1.104 . . . . 1.9399999999999999 111.022 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 414' ' ' TYR . . . . . 0.578 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 1.8 t80 -135.34 62.61 51.33 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 1.8899999999999999 110.974 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 415' ' ' PRO . . . . . 0.432 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -75.02 66.22 6.05 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.507 1.793 . . . . 1.4399999999999999 111.019 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . 0.578 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 9.7 mmtt -80.68 -171.45 3.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 3.5499999999999998 109.307 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . 0.436 HD22 ' O ' ' A' ' 416' ' ' LYS . 0.4 OUTLIER -136.65 138.73 41.42 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.497 1.123 . . . . 2.7400000000000002 109.304 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.513 HD11 ' O ' ' A' ' 399' ' ' GLN . 3.6 mp -69.78 -73.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 1.23 109.34 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 418' ' ' ILE . 9.3 t -38.12 -31.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 1.3200000000000001 110.432 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 418' ' ' ILE . 9.2 mtpt -70.35 -70.0 0.32 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.553 1.158 . . . . 2.2599999999999998 109.343 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . 0.479 ' OD1' ' CZ ' ' A' ' 422' ' ' PHE . 22.8 t-20 -48.79 -50.69 32.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 2.4900000000000002 109.279 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 422' ' ' PHE . . . . . 0.479 ' CZ ' ' OD1' ' A' ' 421' ' ' ASN . 70.1 m-85 -118.48 97.79 5.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 2.6899999999999999 111.006 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -70.07 151.56 45.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 3.0499999999999998 110.26 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . 0.433 ' O ' HD13 ' A' ' 425' ' ' ILE . . . 73.61 40.25 47.1 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.443 1.089 . . . . 1.71 111.019 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 425' ' ' ILE . . . . . 0.433 HD13 ' O ' ' A' ' 424' ' ' GLY . 4.8 mm -134.57 -64.64 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 0.752 . . . . 3.3799999999999999 109.362 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 139.62 164.1 9.76 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.459 1.099 . . . . 1.3100000000000001 111.0 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -18.68 18.75 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.525 1.803 . . . . 1.5700000000000001 110.983 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.443 ' O ' ' NE2' ' A' ' 444' ' ' GLN . 0.9 OUTLIER -128.97 141.73 51.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 3.2400000000000002 109.297 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 429' ' ' ILE . . . . . 0.509 HG23 ' HB3' ' A' ' 381' ' ' ASP . 7.5 tp -111.54 158.17 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 1.8799999999999999 109.33 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -110.01 -45.15 3.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 2.3500000000000001 109.252 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.984 ' HB1' HG22 ' A' ' 291' ' ' VAL . . . -162.3 152.48 16.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.75 109.32 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.744 HG21 ' CE1' ' A' ' 442' ' ' PHE . 8.4 p -159.21 140.61 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 1.77 109.231 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' PHE . . . . . 0.442 ' HA ' HG12 ' A' ' 384' ' ' VAL . 2.3 p90 -153.17 152.92 31.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 2.77 110.984 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' TYR . . . . . 0.599 ' O ' ' CD2' ' A' ' 434' ' ' TYR . 7.9 t80 -102.85 96.03 6.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 3.7599999999999998 111.029 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . 0.435 ' HB3' ' CE2' ' A' ' 433' ' ' PHE . 98.5 p -108.77 -19.72 13.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 2.3900000000000001 109.975 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' LYS . . . . . 0.401 ' CB ' ' HB2' ' A' ' 439' ' ' TYR . 20.9 mmtt -81.74 -169.23 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 3.6000000000000001 109.3 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -91.63 -42.01 10.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 4.0599999999999996 109.305 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . 0.432 ' O ' ' CG ' ' A' ' 438' ' ' LYS . 0.0 OUTLIER -156.85 59.67 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 3.23 109.292 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' TYR . . . . . 0.459 ' CE1' ' HB2' ' A' ' 452' ' ' ASP . 34.9 m-85 -146.35 156.19 43.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 2.5299999999999998 111.041 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -118.94 122.84 43.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 3.2000000000000002 111.03 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' TYR . . . . . 0.542 ' CE1' ' HG3' ' A' ' 450' ' ' GLU . 6.7 m-85 -109.39 102.55 11.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 2.23 110.999 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . 0.744 ' CE1' HG21 ' A' ' 432' ' ' VAL . 37.8 m-85 -104.06 155.93 18.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 3.3700000000000001 110.948 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -154.69 150.86 28.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 5.4500000000000002 111.0 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . 0.536 ' O ' ' CG ' ' A' ' 444' ' ' GLN . 3.2 tt0 -163.99 66.04 0.16 Allowed 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.449 1.093 . . . . 4.6799999999999997 110.27 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 137.92 -72.27 0.45 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 1.8400000000000001 111.009 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 1.7 t -172.47 49.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 2.3399999999999999 110.002 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.36 123.54 7.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 2.1000000000000001 109.284 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -107.43 94.74 5.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 3.3300000000000001 110.292 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' PHE . . . . . 0.511 ' CD1' HD13 ' A' ' 458' ' ' ILE . 96.5 m-85 -82.73 135.33 35.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 2.5800000000000001 110.992 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 0.542 ' HG3' ' CE1' ' A' ' 441' ' ' TYR . 5.9 tt0 -108.82 115.57 30.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 2.7999999999999998 110.339 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -101.81 152.73 20.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 2.8700000000000001 111.008 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' ASP . . . . . 0.459 ' HB2' ' CE1' ' A' ' 439' ' ' TYR . 46.0 t0 -144.86 162.25 37.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 3.5299999999999998 109.319 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . 0.554 ' O ' ' CD1' ' A' ' 453' ' ' PHE . 25.8 t80 -83.9 -7.93 59.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.586 1.179 . . . . 4.9000000000000004 110.97 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 31.9 tp -45.16 -37.11 4.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 3.5299999999999998 109.346 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -173.48 35.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 2.48 109.281 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 40.31 54.2 2.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 4.2699999999999996 110.261 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -139.97 159.02 43.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 3.5699999999999998 110.249 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' ILE . . . . . 0.511 HD13 ' CD1' ' A' ' 449' ' ' PHE . 56.5 mt -84.5 143.27 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 1.8400000000000001 109.405 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 81.5 p -122.16 -40.11 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 3.2599999999999998 110.433 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' LYS . . . . . 0.435 ' HB3' ' CB ' ' A' ' 450' ' ' GLU . 0.0 OUTLIER -110.16 131.76 54.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 3.8599999999999999 109.293 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . 0.466 HG22 ' CD1' ' A' ' 449' ' ' PHE . 1.9 p -136.45 64.72 1.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 2.4199999999999999 110.429 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' LEU . . . . . 0.611 HD12 ' HB3' ' A' ' 466' ' ' SER . 1.6 pt? -90.87 179.1 5.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 2.1099999999999999 109.286 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -107.96 165.18 11.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 2.5 109.274 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 37.7 t -56.12 -46.56 79.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 2.2400000000000002 109.953 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 34.2 p-10 -89.48 56.01 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 3.1400000000000001 109.343 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . 0.611 ' HB3' HD12 ' A' ' 462' ' ' LEU . 30.0 t -106.44 -20.04 13.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.098 . . . . 2.2799999999999998 110.006 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 467' ' ' TRP . . . . . 0.483 ' HA ' ' CE3' ' A' ' 467' ' ' TRP . 0.1 OUTLIER -94.25 -54.68 3.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 4.0199999999999996 107.999 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 468' ' ' PHE . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 281' ' ' LEU . 17.2 t80 -38.77 -50.91 1.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.587 1.18 . . . . 6.7300000000000004 111.005 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 123.83 60.97 0.19 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.519 1.137 . . . . 2.1800000000000002 111.036 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 N-CA-C 108.331 -0.988 . . . . 3.48 108.331 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 471' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 277' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.539 0.209 . . . . 9.0099999999999998 111.03 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -157.21 158.06 30.77 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 5.9800000000000004 110.271 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -161.88 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.545 1.813 . . . . 4.0499999999999998 110.946 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 280' ' ' ALA . . . . . . . . . . . . . . . -165.1 -61.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 3.4500000000000002 109.234 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 281' ' ' LEU . . . . . 0.829 HD21 ' CD1' ' A' ' 307' ' ' TRP . 0.2 OUTLIER 44.54 73.15 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 2.4300000000000002 109.311 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 282' ' ' CYS . . . . . 1.103 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 35.8 t 178.2 -80.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 4.5599999999999996 108.282 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 283' ' ' ASP . . . . . 0.411 ' O ' ' ND2' ' A' ' 285' ' ' ASN . 0.6 OUTLIER -93.35 169.03 10.9 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 4.9000000000000004 109.285 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 60.22 5.4 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.443 1.76 . . . . 2.7599999999999998 111.004 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 285' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 283' ' ' ASP . 0.0 OUTLIER -111.12 -15.88 13.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 3.1200000000000001 109.33 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 286' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 286' ' ' LEU . 12.1 tp -106.23 164.09 12.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 3.5299999999999998 109.303 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 90.1 p -144.3 -179.98 6.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 1.6100000000000001 110.006 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 288' ' ' PHE . . . . . 0.4 ' CE2' ' OG ' ' A' ' 464' ' ' SER . 21.7 m-85 -135.26 167.91 20.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 2.1000000000000001 110.982 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.2 -55.64 2.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 2.3100000000000001 109.351 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . 0.434 ' HB2' ' C ' ' A' ' 333' ' ' GLU . . . -132.89 152.43 51.87 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.491 1.119 . . . . 0.76000000000000001 109.285 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 291' ' ' VAL . . . . . 0.471 HG22 ' HB1' ' A' ' 431' ' ' ALA . 3.2 m -149.79 121.02 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 1.8500000000000001 109.279 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 14.9 t -120.73 146.51 46.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 1.1799999999999999 110.396 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 293' ' ' THR . . . . . 0.74 HG22 HG22 ' A' ' 298' ' ' ILE . 74.4 p -98.02 141.2 31.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.085 . . . . 2.9500000000000002 110.376 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 294' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 296' ' ' ASN . 88.8 t -137.21 113.48 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 1.8700000000000001 109.3 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 59.58 -81.97 0.01 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.469 1.105 . . . . 1.8899999999999999 110.976 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 296' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 294' ' ' VAL . 34.9 t30 -146.81 34.83 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 0.78 . . . . 4.3499999999999996 109.279 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.86 ' HA ' HG11 ' A' ' 310' ' ' VAL . 1.9 mtpt -140.23 168.05 20.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 5.4000000000000004 109.318 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 298' ' ' ILE . . . . . 0.74 HG22 HG22 ' A' ' 293' ' ' THR . 2.2 pp -137.11 124.83 32.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.518 1.136 . . . . 3.1800000000000002 109.331 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -85.87 127.15 34.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 2.3300000000000001 111.058 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 300' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -97.98 116.94 31.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 2.71 111.03 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 301' ' ' PHE . . . . . 0.427 ' CE1' HD11 ' A' ' 321' ' ' ILE . 17.7 m-85 -112.97 147.89 36.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 2.1400000000000001 111.082 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -128.84 -69.34 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 2.9199999999999999 109.271 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -143.93 -68.13 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 3.21 109.343 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.87 -61.01 1.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 3.8599999999999999 110.261 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -80.85 171.95 14.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.451 1.094 . . . . 4.04 111.024 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 306' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -142.8 158.97 43.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 1.8 111.006 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 307' ' ' TRP . . . . . 0.829 ' CD1' HD21 ' A' ' 281' ' ' LEU . 9.0 m-90 -109.27 147.48 32.56 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.009 -1.108 . . . . 4.3899999999999997 108.009 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 8.8 tp -138.73 99.37 3.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 2.48 109.29 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -154.91 106.31 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 3.2200000000000002 109.279 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . 0.86 HG11 ' HA ' ' A' ' 297' ' ' LYS . 1.6 p -163.69 176.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 3.5800000000000001 109.291 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . 0.514 ' H ' HG22 ' A' ' 310' ' ' VAL . 9.3 t 64.58 -81.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 4.7300000000000004 110.027 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -154.82 72.65 0.85 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 6.0899999999999999 110.323 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.99 146.3 32.86 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.525 1.14 . . . . 5.0800000000000001 110.301 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -51.67 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 2.04 111.037 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 24.5 ttpt -145.22 163.31 34.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 3.3100000000000001 109.277 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . 0.447 HG21 HD22 ' A' ' 281' ' ' LEU . 61.3 p -76.15 177.96 6.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.08 . . . . 1.72 110.451 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.34 175.52 10.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 1.8600000000000001 110.019 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 318' ' ' VAL . . . . . 0.54 HG12 ' CE2' ' A' ' 307' ' ' TRP . 2.2 m -145.45 83.72 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 2.8900000000000001 109.317 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -101.93 165.99 10.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 2.5299999999999998 109.324 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 61.7 tp -108.46 134.69 50.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 2.3900000000000001 109.262 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 321' ' ' ILE . . . . . 0.427 HD11 ' CE1' ' A' ' 301' ' ' PHE . 2.3 mt -60.79 -68.11 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 1.7 109.301 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 322' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 321' ' ' ILE . 8.6 m -36.69 -42.99 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 2.21 110.04 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 323' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 322' ' ' SER . 3.4 t -38.39 -36.05 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 1.5800000000000001 109.989 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 4.5 mp -107.29 -74.22 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.177 . . . . 2.2999999999999998 109.348 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 325' ' ' TRP . . . . . 0.676 ' HB3' HD23 ' A' ' 328' ' ' LEU . 5.3 m-90 -55.79 130.58 72.27 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 3.3300000000000001 107.994 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -77.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 2.1099999999999999 110.973 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 327' ' ' THR . . . . . 0.916 ' O ' HD22 ' A' ' 328' ' ' LEU . 10.2 t -85.99 87.55 7.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 1.8600000000000001 110.371 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.916 HD22 ' O ' ' A' ' 327' ' ' THR . 1.8 mm? -142.48 132.32 12.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 1.27 109.358 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 329' ' ' PRO . . . . . 0.495 ' HD2' HD13 ' A' ' 328' ' ' LEU . 18.1 Cg_endo -75.02 -30.42 7.16 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 2.6099999999999999 110.929 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 7.2 p 60.33 -169.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 2.6299999999999999 109.987 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 49.08 22.7 3.32 Favored Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.432 1.083 . . . . 1.5600000000000001 111.023 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.786 HD13 HD12 ' A' ' 346' ' ' LEU . 1.7 mp -50.06 136.52 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.756 . . . . 1.8100000000000001 109.286 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . 0.434 ' C ' ' HB2' ' A' ' 290' ' ' ALA . 35.7 mt-10 -89.0 -33.92 17.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 2.6899999999999999 110.279 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 334' ' ' ALA . . . . . 0.411 ' HB1' ' CB ' ' A' ' 383' ' ' ALA . . . -132.61 107.42 8.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.84999999999999998 109.313 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -114.55 121.34 43.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 1.0700000000000001 109.226 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 336' ' ' TYR . . . . . 0.521 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 35.2 p90 -137.89 116.0 11.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 4.0199999999999996 110.976 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.27 178.72 6.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 3.8399999999999999 110.325 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . 0.568 HG23 ' O ' ' A' ' 338' ' ' ILE . 0.1 OUTLIER -150.62 105.46 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 3.6200000000000001 109.319 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.15 83.98 7.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 3.3100000000000001 110.32 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -160.44 -60.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 1.6299999999999999 109.318 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 341' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 342' ' ' ASN . 7.9 ptp180 -91.44 -12.31 35.09 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.093 . . . . 5.4800000000000004 110.365 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 342' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 341' ' ' ARG . 2.0 t-20 77.64 51.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 3.5800000000000001 109.267 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -136.07 142.4 44.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 2.6800000000000002 110.33 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 344' ' ' VAL . . . . . 0.455 HG12 ' CD2' ' A' ' 346' ' ' LEU . 11.1 t -106.35 151.51 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.522 1.139 . . . . 1.3700000000000001 109.297 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 345' ' ' PHE . . . . . 0.795 ' C ' HD22 ' A' ' 346' ' ' LEU . 1.0 OUTLIER -131.21 130.32 42.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 2.5899999999999999 110.978 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 0.795 HD22 ' C ' ' A' ' 345' ' ' PHE . 4.0 mm? -131.91 114.65 14.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 1.47 109.266 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 347' ' ' PHE . . . . . 0.855 ' CZ ' HD12 ' A' ' 380' ' ' ILE . 3.3 t80 -99.3 152.73 19.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 6.4900000000000002 111.039 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 348' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.6 128.5 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 5.0999999999999996 109.236 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 6.0 t0 56.65 -150.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 2.9100000000000001 109.284 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 350' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -89.89 40.27 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 4.0800000000000001 109.334 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.413 ' HD2' ' CZ3' ' A' ' 353' ' ' TRP . 1.3 mttp -154.76 151.95 29.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 1.6299999999999999 109.306 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 352' ' ' TYR . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 366' ' ' LYS . 3.6 p90 -141.54 114.55 8.62 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.49 1.119 . . . . 2.8300000000000001 111.015 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 353' ' ' TRP . . . . . 0.649 ' CH2' ' HA ' ' A' ' 365' ' ' PRO . 0.6 OUTLIER -87.14 158.5 19.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 4.4800000000000004 108.008 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 354' ' ' LEU . . . . . 0.672 HD23 ' CE2' ' A' ' 364' ' ' TYR . 0.3 OUTLIER -124.63 148.98 47.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 2.1899999999999999 109.328 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.577 ' N ' HD12 ' A' ' 354' ' ' LEU . 6.4 mt -135.99 135.27 50.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 1.5800000000000001 109.325 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 356' ' ' SER . . . . . 0.418 ' O ' ' CB ' ' A' ' 357' ' ' ASN . 1.7 t -113.2 106.48 14.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 1.98 109.991 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 357' ' ' ASN . . . . . 0.518 HD22 HD23 ' A' ' 358' ' ' LEU . 0.2 OUTLIER 76.49 -59.66 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 4.96 109.303 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . 0.518 HD23 HD22 ' A' ' 357' ' ' ASN . 0.3 OUTLIER -161.22 -59.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 3.7400000000000002 109.271 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.16 123.09 87.49 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 4.1200000000000001 110.296 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 360' ' ' PRO . . . . . 0.496 ' HG2' HG22 ' A' ' 327' ' ' THR . 18.3 Cg_endo -75.03 -178.94 4.53 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.561 1.821 . . . . 1.8300000000000001 111.011 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -79.36 161.51 67.24 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 2.9100000000000001 110.3 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 362' ' ' PRO . . . . . 0.484 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.2 Cg_endo -75.07 64.36 6.11 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.548 1.815 . . . . 2.6200000000000001 110.963 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 363' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 0.7 OUTLIER 80.33 109.51 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.081 . . . . 3.9100000000000001 109.219 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 364' ' ' TYR . . . . . 0.672 ' CE2' HD23 ' A' ' 354' ' ' LEU . 0.9 OUTLIER -130.04 65.3 75.07 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.159 . . . . 3.27 111.001 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . 0.649 ' HA ' ' CH2' ' A' ' 353' ' ' TRP . 18.5 Cg_endo -75.05 70.48 5.32 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.543 1.812 . . . . 2.1000000000000001 111.052 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 366' ' ' LYS . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 352' ' ' TYR . 6.9 mmtt -83.81 173.33 11.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 1.8899999999999999 109.331 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.84 131.09 37.01 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 2.1299999999999999 110.019 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 35.7 pt -63.72 -41.67 93.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 1.6499999999999999 109.3 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -54.39 -32.03 56.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 2.8900000000000001 109.611 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.72 -7.92 38.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 2.6600000000000001 109.963 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -156.93 45.26 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 5.5800000000000001 110.975 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 372' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -162.4 -51.05 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.49 1.119 . . . . 3.4700000000000002 111.022 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 373' ' ' PHE . . . . . 0.458 ' N ' ' HD3' ' A' ' 374' ' ' PRO . 1.6 t80 37.36 61.01 3.94 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.407 0.71 . . . . 7.6299999999999999 110.928 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 374' ' ' PRO . . . . . 0.458 ' HD3' ' N ' ' A' ' 373' ' ' PHE . 18.2 Cg_endo -75.0 -162.75 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.768 . . . . 2.4300000000000002 110.995 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -86.66 -26.14 24.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 6.7000000000000002 109.276 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 169.17 80.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.59 1.181 . . . . 4.9000000000000004 110.972 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 377' ' ' VAL . . . . . 0.451 HG22 ' N ' ' A' ' 378' ' ' LYS . 13.5 p -88.82 165.64 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 2.25 109.28 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 378' ' ' LYS . . . . . 0.451 ' N ' HG22 ' A' ' 377' ' ' VAL . 0.4 OUTLIER -174.36 -45.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.148 . . . . 3.1200000000000001 109.363 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . 0.559 ' O ' HG23 ' A' ' 396' ' ' VAL . 0.0 OUTLIER -147.99 134.81 20.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 1.99 109.348 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . 0.855 HD12 ' CZ ' ' A' ' 347' ' ' PHE . 25.9 mt -101.58 147.23 8.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.515 1.134 . . . . 1.04 109.34 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 381' ' ' ASP . . . . . 0.402 ' CG ' ' O ' ' A' ' 429' ' ' ILE . 6.0 m-20 -79.71 -50.06 11.16 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.581 1.176 . . . . 2.2599999999999998 109.336 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 382' ' ' ALA . . . . . 0.788 ' HB2' ' HA ' ' A' ' 431' ' ' ALA . . . -158.18 168.78 26.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.83999999999999997 109.317 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 383' ' ' ALA . . . . . 0.411 ' CB ' ' HB1' ' A' ' 334' ' ' ALA . . . -152.21 133.54 14.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.98999999999999999 109.268 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 4.1 p -144.75 154.58 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 2.2000000000000002 109.32 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -98.6 151.43 20.69 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.587 1.18 . . . . 1.8200000000000001 111.056 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -122.38 110.1 32.59 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 2.5800000000000001 109.222 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -9.99 20.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 1.76 110.907 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 1.5 tpt85 -73.59 -49.24 27.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 2.1200000000000001 110.256 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -119.2 18.05 13.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 3.8500000000000001 110.94 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 390' ' ' TYR . . . . . 0.432 ' CB ' ' HB3' ' A' ' 406' ' ' ARG . 24.8 m-85 43.68 36.14 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 3.46 110.998 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -108.97 178.61 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 2.9199999999999999 110.321 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 52.7 m -134.5 134.56 41.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.87 110.422 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -95.52 127.83 41.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 2.4500000000000002 111.033 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -123.36 117.82 26.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 2.27 110.975 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . 0.664 ' O ' HG23 ' A' ' 380' ' ' ILE . 65.1 m-85 -100.61 131.0 46.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 1.3899999999999999 111.001 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 396' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 379' ' ' LYS . 14.5 p -145.99 133.03 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 3.0299999999999998 109.295 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 48.42 -152.28 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 3.8799999999999999 109.299 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -88.13 45.85 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 3.5099999999999998 109.355 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 399' ' ' GLN . . . . . 0.448 ' HB3' ' CZ3' ' A' ' 401' ' ' TRP . 0.1 OUTLIER -145.36 179.81 7.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 3.77 110.269 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 400' ' ' TYR . . . . . 0.594 ' CE1' ' O ' ' A' ' 401' ' ' TRP . 8.1 t80 -141.17 151.48 43.88 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.447 1.092 . . . . 2.7000000000000002 110.952 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' TRP . . . . . 0.594 ' O ' ' CE1' ' A' ' 400' ' ' TYR . 2.6 m-90 -139.95 165.02 28.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 5.4900000000000002 108.007 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -149.26 108.45 3.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 2.6499999999999999 110.299 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -95.89 152.68 18.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.411 1.069 . . . . 5.2599999999999998 110.944 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.56 119.73 38.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 2.1000000000000001 109.266 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.58 -33.9 14.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 3.3599999999999999 110.247 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . 0.432 ' HB3' ' CB ' ' A' ' 390' ' ' TYR . 1.6 ppt_? -71.18 -34.4 70.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 6.1100000000000003 110.319 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 407' ' ' ARG . . . . . 0.461 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.0 OUTLIER -91.14 -40.89 11.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 2.6299999999999999 110.237 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . 0.461 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 5.3 tt0 83.57 40.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.097 . . . . 2.73 110.325 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 2.9 tpp -154.68 110.23 3.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 2.0699999999999998 110.933 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.53 140.04 14.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 2.6200000000000001 111.009 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.69 140.74 47.9 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 2.8900000000000001 109.289 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 107.83 2.57 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.512 1.796 . . . . 3.2799999999999998 110.946 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 47.86 93.02 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 2.3599999999999999 110.986 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 414' ' ' TYR . . . . . 0.527 ' CZ ' ' HG3' ' A' ' 416' ' ' LYS . 80.5 t80 -134.52 61.7 50.53 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 4.3399999999999999 111.007 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 415' ' ' PRO . . . . . 0.439 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -74.99 78.26 2.94 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.546 1.814 . . . . 1.45 111.024 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . 0.527 ' HG3' ' CZ ' ' A' ' 414' ' ' TYR . 48.9 mmtt -100.57 -175.95 3.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 2.4399999999999999 109.288 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.74 157.24 45.43 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.526 1.141 . . . . 2.1200000000000001 109.352 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.477 HG12 ' CD1' ' A' ' 395' ' ' PHE . 2.6 mp -60.11 -65.14 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 1.3700000000000001 109.263 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.31 -17.23 41.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 1.46 110.427 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -70.82 -72.52 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 2.3999999999999999 109.305 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -70.26 -53.4 17.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 2.0499999999999998 109.318 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 422' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -98.05 103.85 15.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 4.3799999999999999 110.96 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -85.64 156.11 20.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 4.1200000000000001 110.276 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 92.25 -33.56 4.86 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.525 1.141 . . . . 1.6699999999999999 110.928 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 425' ' ' ILE . . . . . 0.79 ' CG2' HD13 ' A' ' 429' ' ' ILE . 4.3 mm -62.63 -72.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 0.771 . . . . 2.96 109.292 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 142.36 -175.37 22.86 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 1.3200000000000001 110.969 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -40.72 0.85 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.551 1.816 . . . . 1.75 111.066 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -117.64 130.35 56.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 2.7000000000000002 109.289 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 429' ' ' ILE . . . . . 0.79 HD13 ' CG2' ' A' ' 425' ' ' ILE . 7.1 tp -116.24 139.78 41.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 1.8799999999999999 109.347 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.77 -83.56 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 2.71 109.251 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.788 ' HA ' ' HB2' ' A' ' 382' ' ' ALA . . . -129.94 166.11 20.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 0.91000000000000003 109.334 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.674 HG21 ' CE2' ' A' ' 442' ' ' PHE . 2.9 p -160.03 150.43 6.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 1.8999999999999999 109.271 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 441' ' ' TYR . 4.6 p90 -148.64 166.12 29.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 3.6000000000000001 110.968 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' TYR . . . . . 0.702 ' O ' HG21 ' A' ' 293' ' ' THR . 6.9 t80 -114.3 112.34 22.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 3.3799999999999999 110.999 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 436' ' ' LYS . 60.5 p -134.39 83.42 2.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 3.3100000000000001 110.037 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' LYS . . . . . 0.524 ' HD3' ' CD1' ' A' ' 439' ' ' TYR . 1.8 mttt 169.82 -162.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 5.2599999999999998 109.303 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -95.21 -34.07 12.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 4.71 109.314 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . 0.511 ' HA ' ' CE ' ' A' ' 438' ' ' LYS . 0.0 OUTLIER -161.36 62.6 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.123 . . . . 3.9199999999999999 109.273 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' TYR . . . . . 0.524 ' CD1' ' HD3' ' A' ' 436' ' ' LYS . 3.1 m-85 -146.96 163.19 36.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 2.9399999999999999 111.05 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' TYR . . . . . 0.552 ' HB3' ' CE1' ' A' ' 442' ' ' PHE . 52.0 m-85 -132.02 125.37 31.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.176 . . . . 3.5099999999999998 111.021 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' TYR . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 433' ' ' PHE . 26.9 m-85 -105.02 106.01 16.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 2.6800000000000002 111.033 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . 0.674 ' CE2' HG21 ' A' ' 432' ' ' VAL . 90.5 m-85 -99.71 164.76 11.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 3.3500000000000001 110.983 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' PHE . . . . . 0.594 ' HD2' ' HB3' ' A' ' 431' ' ' ALA . 0.1 OUTLIER -144.81 139.59 27.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 5.7300000000000004 111.032 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . 0.418 ' N ' ' CD1' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -158.05 97.59 1.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 3.7400000000000002 110.348 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 107.51 -69.07 0.22 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 1.95 111.003 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 1.3 m 179.3 41.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 2.71 110.001 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -147.22 132.94 18.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 3.4300000000000002 109.256 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' GLN . . . . . 0.469 ' O ' ' CD2' ' A' ' 462' ' ' LEU . 1.8 pt20 -118.14 85.33 2.33 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.511 1.132 . . . . 3.8900000000000001 110.256 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' PHE . . . . . 0.568 ' HB2' HG23 ' A' ' 458' ' ' ILE . 33.1 p90 -81.93 165.28 20.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 5.3099999999999996 110.97 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 0.516 ' HG3' ' CE2' ' A' ' 441' ' ' TYR . 0.1 OUTLIER -98.52 164.08 12.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 3.8599999999999999 110.289 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -152.42 126.45 9.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 2.7400000000000002 110.978 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' ASP . . . . . 0.485 ' HB3' HD23 ' A' ' 455' ' ' LEU . 7.8 t0 -99.4 128.93 45.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 3.7799999999999998 109.26 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -78.25 4.98 11.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 4.4900000000000002 110.98 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 45.0 tp -89.17 5.69 43.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.435 1.084 . . . . 4.1200000000000001 109.272 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.555 HD11 ' HB2' ' A' ' 457' ' ' ARG . 0.7 OUTLIER -171.72 -38.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 3.3599999999999999 109.277 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . 0.475 ' CB ' ' O ' ' A' ' 455' ' ' LEU . 1.6 mt-30 84.26 64.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 3.5299999999999998 110.288 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' ARG . . . . . 0.555 ' HB2' HD11 ' A' ' 455' ' ' LEU . 0.1 OUTLIER -146.1 143.67 29.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 6.2599999999999998 110.302 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' ILE . . . . . 0.568 HG23 ' HB2' ' A' ' 449' ' ' PHE . 91.5 mt -80.49 137.44 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 2.25 109.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 34.7 p -120.19 -42.52 2.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 2.7400000000000002 110.399 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt -109.44 141.51 41.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 4.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 21.8 p -142.31 78.65 1.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 1.96 110.408 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' LEU . . . . . 0.469 ' CD2' ' O ' ' A' ' 448' ' ' GLN . 1.9 pt? -97.42 172.2 7.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.084 . . . . 1.8899999999999999 109.322 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -95.03 144.75 25.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 3.1400000000000001 109.301 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . 0.4 ' OG ' ' CE2' ' A' ' 288' ' ' PHE . 4.0 t -40.79 -43.78 2.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 1.98 109.989 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -99.11 70.74 1.8 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.516 1.135 . . . . 4.1299999999999999 109.277 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 9.1 t -110.65 -20.56 12.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 2.5499999999999998 109.965 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -91.16 -47.72 7.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 5.3399999999999999 108.015 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 468' ' ' PHE . . . . . 0.591 ' CZ ' ' O ' ' A' ' 281' ' ' LEU . 9.2 t80 -39.87 -37.62 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 7.2300000000000004 111.067 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 120.68 36.4 0.78 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.441 1.088 . . . . 2.48 111.003 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 470' ' ' CYS . . . . . 1.103 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 N-CA-C 108.284 -1.006 . . . . 3.5699999999999998 108.284 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 471' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 277' ' ' MET . . . . . . . . . . . . . 5.3 mtt . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.523 0.202 . . . . 10.609999999999999 111.053 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.89 165.76 0.25 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 7.2699999999999996 110.335 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 279' ' ' PRO . . . . . 0.589 ' HA ' HD22 ' A' ' 286' ' ' LEU . 18.1 Cg_endo -75.05 53.64 3.42 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.515 1.797 . . . . 5.0999999999999996 110.969 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 280' ' ' ALA . . . . . 0.613 ' O ' HD21 ' A' ' 286' ' ' LEU . . . -60.62 131.37 50.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 3.3700000000000001 109.259 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 281' ' ' LEU . . . . . 0.615 HD23 ' CH2' ' A' ' 307' ' ' TRP . 1.0 OUTLIER -74.34 -42.57 59.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 3.2400000000000002 109.305 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 282' ' ' CYS . . . . . 1.151 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 53.2 m -84.38 69.31 10.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 3.1600000000000001 108.25 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -177.31 110.06 0.23 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 4.1699999999999999 109.325 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 60.89 5.57 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.405 1.74 . . . . 1.99 111.046 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 285' ' ' ASN . . . . . 0.441 ' ND2' ' N ' ' A' ' 285' ' ' ASN . 0.0 OUTLIER -161.92 48.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 4.8600000000000003 109.242 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 286' ' ' LEU . . . . . 0.613 HD21 ' O ' ' A' ' 280' ' ' ALA . 14.6 mt -93.32 128.38 39.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 3.5499999999999998 109.312 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 287' ' ' SER . . . . . 0.408 ' O ' ' CE ' ' A' ' 302' ' ' LYS . 2.8 t -115.29 148.38 39.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 2.8500000000000001 109.996 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 288' ' ' PHE . . . . . 0.521 ' CD1' ' CD2' ' A' ' 443' ' ' PHE . 21.4 m-85 -121.42 168.15 12.0 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.566 1.166 . . . . 2.5099999999999998 111.053 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 289' ' ' ASP . . . . . 0.645 ' O ' ' HB2' ' A' ' 431' ' ' ALA . 5.0 m-20 -126.09 -53.21 1.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.579 1.174 . . . . 3.2400000000000002 109.242 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -137.85 137.15 37.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.81000000000000005 109.259 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 291' ' ' VAL . . . . . 0.724 HG11 ' CE1' ' A' ' 443' ' ' PHE . 6.1 m -135.46 135.68 51.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 2.1400000000000001 109.338 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 11.8 t -155.29 153.4 30.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 1.24 110.413 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 293' ' ' THR . . . . . 0.544 HG22 ' CE2' ' A' ' 433' ' ' PHE . 10.5 t -131.82 158.32 41.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 3.1600000000000001 110.35 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 70.9 t -147.96 95.86 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 1.97 109.379 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 88.29 -118.01 4.97 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 1.75 110.983 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -107.54 5.67 27.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 4.9400000000000004 109.31 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.811 ' HA ' HG11 ' A' ' 310' ' ' VAL . 1.4 mtpp -110.37 136.44 49.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 2.9700000000000002 109.255 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 298' ' ' ILE . . . . . 0.637 HD12 ' CZ ' ' A' ' 300' ' ' PHE . 16.5 pt -112.57 129.74 67.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 2.2000000000000002 109.293 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -106.28 126.73 52.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 2.5600000000000001 111.031 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 300' ' ' PHE . . . . . 0.637 ' CZ ' HD12 ' A' ' 298' ' ' ILE . 24.4 m-85 -119.32 119.56 34.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 2.77 110.98 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -96.0 134.46 39.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 1.99 110.989 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 302' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 304' ' ' ARG . 0.0 OUTLIER -131.9 89.24 2.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 2.9399999999999999 109.274 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 56.71 -87.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 4.6699999999999999 109.324 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 304' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 302' ' ' LYS . 0.2 OUTLIER -118.39 -19.89 8.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 4.4299999999999997 110.291 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . 0.47 ' CD2' ' CG1' ' A' ' 318' ' ' VAL . 2.6 m-85 -87.45 140.18 29.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 4.6699999999999999 110.988 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 306' ' ' PHE . . . . . 0.438 ' CB ' ' O ' ' A' ' 319' ' ' ASN . 0.5 OUTLIER -106.2 108.99 20.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 4.5599999999999996 110.974 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 307' ' ' TRP . . . . . 0.615 ' CH2' HD23 ' A' ' 281' ' ' LEU . 0.0 OUTLIER -84.27 138.67 32.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 5.96 108.008 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 316' ' ' THR . 13.0 tp -143.3 127.54 17.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 2.7400000000000002 109.338 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 309' ' ' LYS . . . . . 0.458 ' CE ' ' HA ' ' A' ' 468' ' ' PHE . 3.7 tptt -153.76 93.89 1.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 2.4300000000000002 109.326 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . 0.811 HG11 ' HA ' ' A' ' 297' ' ' LYS . 1.2 p -174.33 -179.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 2.8900000000000001 109.35 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . 0.548 ' H ' HG22 ' A' ' 310' ' ' VAL . 11.6 t 44.41 88.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 5.0999999999999996 109.994 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 312' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 311' ' ' SER . 2.1 tt0 37.03 73.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 5.4400000000000004 110.335 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.07 118.86 19.54 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 4.6100000000000003 110.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -33.03 4.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.526 1.803 . . . . 2.1299999999999999 111.007 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -143.15 168.11 20.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 4.3499999999999996 109.308 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . 0.645 HG22 ' CD1' ' A' ' 468' ' ' PHE . 12.7 p -75.3 170.1 16.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 1.5 110.419 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.52 172.08 11.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 1.95 110.002 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 318' ' ' VAL . . . . . 0.47 ' CG1' ' CD2' ' A' ' 305' ' ' PHE . 40.4 t -132.22 94.15 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 1.96 109.251 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . 0.438 ' O ' ' CB ' ' A' ' 306' ' ' PHE . 1.6 m120 -103.61 -179.95 4.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 3.48 109.277 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.45 ' HB3' ' CB ' ' A' ' 323' ' ' SER . 0.1 OUTLIER -136.77 139.33 41.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 2.2799999999999998 109.28 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 321' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 324' ' ' LEU . 3.9 mp -59.13 -73.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 1.3100000000000001 109.241 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 5.6 m -44.92 -39.68 5.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 2.5800000000000001 109.983 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 323' ' ' SER . . . . . 0.45 ' CB ' ' HB3' ' A' ' 320' ' ' LEU . 29.1 t -55.42 -36.03 66.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 1.3 110.097 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 321' ' ' ILE . 4.1 mm? -102.81 -79.78 0.52 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 3.3700000000000001 109.311 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 325' ' ' TRP . . . . . 0.427 ' HE3' HG23 ' A' ' 321' ' ' ILE . 1.4 m0 -52.09 151.54 6.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 1.52 108.007 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -89.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.483 1.78 . . . . 1.0900000000000001 110.998 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 327' ' ' THR . . . . . 0.957 ' O ' HD22 ' A' ' 328' ' ' LEU . 1.2 m -93.88 91.22 6.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 2.4199999999999999 110.35 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.957 HD22 ' O ' ' A' ' 327' ' ' THR . 1.5 mm? -145.41 130.79 9.28 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 1.3999999999999999 109.255 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 329' ' ' PRO . . . . . 0.517 ' HD2' HD13 ' A' ' 328' ' ' LEU . 18.3 Cg_endo -75.02 176.83 9.4 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.446 1.761 . . . . 1.9399999999999999 110.972 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 4.7 m -115.19 154.08 29.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 2.2400000000000002 110.009 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 74.53 49.15 11.83 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.107 . . . . 1.4099999999999999 110.946 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.4 HG21 ' HB2' ' A' ' 335' ' ' ALA . 14.5 mt -49.11 136.48 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.447 0.733 . . . . 1.8500000000000001 109.287 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -85.0 -40.72 16.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 2.6200000000000001 110.303 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 334' ' ' ALA . . . . . 0.728 ' HB1' ' HB3' ' A' ' 383' ' ' ALA . . . -160.63 133.4 6.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.98999999999999999 109.329 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . 0.4 ' HB2' HG21 ' A' ' 332' ' ' ILE . . . -132.34 142.53 49.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0900000000000001 109.19 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 336' ' ' TYR . . . . . 0.538 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 3.9 p90 -154.9 126.69 7.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 2.8999999999999999 111.036 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 337' ' ' GLU . . . . . 0.748 ' HG2' HG22 ' A' ' 344' ' ' VAL . 1.8 mp0 -110.67 151.85 27.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 5.2800000000000002 110.302 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . 0.526 HD12 ' CE2' ' A' ' 385' ' ' PHE . 11.4 mm -129.97 115.85 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 3.48 109.257 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -62.59 -39.32 93.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 3.4500000000000002 110.338 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -57.29 -52.07 66.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 1.8 109.298 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.65 -24.76 58.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.586 1.179 . . . . 5.5700000000000003 110.31 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 1.2 t30 59.61 39.23 21.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 2.6800000000000002 109.237 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -124.87 177.77 5.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 2.7000000000000002 110.356 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 344' ' ' VAL . . . . . 0.748 HG22 ' HG2' ' A' ' 337' ' ' GLU . 52.2 t -143.32 117.33 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 1.3700000000000001 109.385 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 345' ' ' PHE . . . . . 0.473 ' HB2' ' CE1' ' A' ' 336' ' ' TYR . 8.4 m-85 -109.62 134.92 51.37 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.119 . . . . 2.7599999999999998 110.987 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 0.52 HD23 HD12 ' A' ' 328' ' ' LEU . 0.7 OUTLIER -132.23 124.57 29.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 2.3300000000000001 109.324 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 347' ' ' PHE . . . . . 0.468 ' CE2' ' CE1' ' A' ' 352' ' ' TYR . 6.1 m-85 -99.11 141.1 32.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 2.7400000000000002 111.046 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 348' ' ' LYS . . . . . 0.441 ' HG2' ' CB ' ' A' ' 329' ' ' PRO . 0.0 OUTLIER -153.54 114.1 4.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 3.48 109.308 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 3.1 t0 50.15 -149.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 3.3399999999999999 109.232 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 350' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 1.9 p-10 -86.25 40.44 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 3.6899999999999999 109.316 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -141.26 140.7 33.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 2.6699999999999999 109.297 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 352' ' ' TYR . . . . . 0.484 ' CE2' HG22 ' A' ' 368' ' ' ILE . 0.1 OUTLIER -102.59 152.45 21.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 5.2599999999999998 111.053 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -155.63 127.06 7.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 4.1500000000000004 108.064 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 354' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 355' ' ' ILE . 0.1 OUTLIER -126.84 135.04 50.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 2.4100000000000001 109.283 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.57 HD11 HD21 ' A' ' 328' ' ' LEU . 3.3 mp -96.67 109.63 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 1.51 109.31 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 356' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 358' ' ' LEU . 11.1 t -89.73 106.63 18.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 1.71 109.966 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 68.82 -65.35 0.29 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 3.8799999999999999 109.257 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 356' ' ' SER . 0.2 OUTLIER -144.15 -52.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 5.2599999999999998 109.343 179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 2.1 tpt85 -93.14 128.03 44.71 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 7.1200000000000001 110.333 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 360' ' ' PRO . . . . . 0.47 ' HG3' ' CD2' ' A' ' 328' ' ' LEU . 18.0 Cg_endo -74.99 -171.36 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.512 1.796 . . . . 1.4399999999999999 110.983 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -79.73 126.32 80.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 2.3399999999999999 110.348 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 362' ' ' PRO . . . . . 0.569 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.3 Cg_endo -74.91 91.07 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 1.8700000000000001 110.995 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 363' ' ' ASN . . . . . 0.569 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 2.1 t-20 87.03 73.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 4.1100000000000003 109.349 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 364' ' ' TYR . . . . . 0.576 ' CE2' ' HD3' ' A' ' 366' ' ' LYS . 0.2 OUTLIER -135.08 57.01 18.35 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 3.1800000000000002 110.993 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . 0.539 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -75.01 54.77 3.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.549 1.815 . . . . 1.6299999999999999 111.004 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 366' ' ' LYS . . . . . 0.576 ' HD3' ' CE2' ' A' ' 364' ' ' TYR . 0.2 OUTLIER -51.61 144.94 9.81 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.459 1.099 . . . . 1.78 109.284 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 367' ' ' SER . . . . . 0.408 ' HB2' ' ND1' ' A' ' 369' ' ' HIS . 51.6 p -95.33 109.65 21.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 4.25 109.961 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . 0.484 HG22 ' CE2' ' A' ' 352' ' ' TYR . 5.0 pt -51.64 -22.02 2.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 1.5800000000000001 109.308 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 369' ' ' HIS . . . . . 0.476 ' C ' ' CD2' ' A' ' 369' ' ' HIS . 0.4 OUTLIER -65.53 -14.48 61.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 3.8599999999999999 109.593 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 370' ' ' SER . . . . . 0.534 ' O ' ' CD2' ' A' ' 371' ' ' PHE . 17.7 t -66.83 -15.21 63.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 4.3700000000000001 109.986 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 371' ' ' PHE . . . . . 0.534 ' CD2' ' O ' ' A' ' 370' ' ' SER . 0.3 OUTLIER 161.44 -27.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 6.5899999999999999 110.961 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 372' ' ' GLY . . . . . 0.579 ' O ' ' CD2' ' A' ' 373' ' ' PHE . . . -62.94 -12.51 43.24 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.597 1.185 . . . . 6.9699999999999998 111.038 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 373' ' ' PHE . . . . . 0.579 ' CD2' ' O ' ' A' ' 372' ' ' GLY . 7.1 m-85 -177.66 168.93 1.06 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.5 0.765 . . . . 12.130000000000001 110.932 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 374' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -178.2 3.99 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.471 1.774 . . . . 4.8600000000000003 111.015 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -86.8 73.58 9.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 9.4199999999999999 109.356 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -178.34 -49.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 4.96 110.991 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 377' ' ' VAL . . . . . 0.561 HG21 ' CD1' ' A' ' 373' ' ' PHE . 4.4 t -43.87 163.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 2.1899999999999999 109.275 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 378' ' ' LYS . . . . . 0.495 ' N ' ' CG1' ' A' ' 377' ' ' VAL . 7.9 mtpt -170.4 -40.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 3.8399999999999999 109.317 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 9.6 pttt -124.61 119.52 29.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 2.1600000000000001 109.27 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . 0.545 HG12 ' CZ ' ' A' ' 373' ' ' PHE . 1.7 mt -100.14 155.84 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 1.3799999999999999 109.288 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.33 -46.58 7.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 2.3199999999999998 109.246 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -163.88 162.49 23.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 1.1899999999999999 109.287 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 383' ' ' ALA . . . . . 0.728 ' HB3' ' HB1' ' A' ' 334' ' ' ALA . . . -148.98 132.54 16.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 1.22 109.306 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . 0.567 HG12 ' HB2' ' A' ' 393' ' ' TYR . 10.2 p -132.03 153.48 38.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 2.8100000000000001 109.307 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 385' ' ' PHE . . . . . 0.526 ' CE2' HD12 ' A' ' 338' ' ' ILE . 18.6 t80 -122.56 145.85 47.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 1.95 110.978 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -126.33 111.32 23.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 2.6099999999999999 109.278 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -13.73 21.43 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.492 1.785 . . . . 1.8100000000000001 110.989 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 2.4 tpt85 -82.75 -37.19 24.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 2.52 110.312 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -103.13 -6.2 22.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 2.6400000000000001 110.964 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 53.73 42.66 31.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 3.0299999999999998 110.99 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -144.49 142.71 30.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 3.1699999999999999 110.281 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 4.8 m -110.02 123.42 49.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.98999999999999999 110.415 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . 0.567 ' HB2' HG12 ' A' ' 384' ' ' VAL . 3.2 m-30 -83.27 134.61 34.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 1.6799999999999999 110.962 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -121.59 108.55 13.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 1.9399999999999999 111.013 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . 0.622 ' CD1' HG23 ' A' ' 418' ' ' ILE . 42.4 m-85 -88.87 122.49 32.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 1.0900000000000001 111.008 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 396' ' ' VAL . . . . . 0.806 HG12 ' OD2' ' A' ' 397' ' ' ASP . 67.1 t -138.17 124.51 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 1.73 109.341 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 397' ' ' ASP . . . . . 0.806 ' OD2' HG12 ' A' ' 396' ' ' VAL . 0.5 OUTLIER 51.81 -152.92 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 3.5 109.351 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -85.22 49.86 1.83 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 4.1200000000000001 109.334 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -150.15 169.64 20.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 2.7799999999999998 110.274 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -137.64 145.53 42.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 2.8900000000000001 111.027 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -130.22 174.19 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.969 -1.123 . . . . 4.5599999999999996 107.969 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -152.82 115.3 4.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.098 . . . . 4.2999999999999998 110.349 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 403' ' ' TYR . . . . . 0.464 ' CE2' ' OE2' ' A' ' 405' ' ' GLU . 9.5 t80 -106.71 139.19 41.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 5.2599999999999998 110.998 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -88.4 139.82 30.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.431 1.082 . . . . 2.75 109.297 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . 0.464 ' OE2' ' CE2' ' A' ' 403' ' ' TYR . 17.9 mm-40 -104.76 -43.59 5.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 3.8100000000000001 110.287 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.23 -38.28 86.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 6.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 407' ' ' ARG . . . . . 0.414 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.2 OUTLIER -92.42 -40.6 10.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 3.8799999999999999 110.296 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . 0.414 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 0.1 OUTLIER 80.45 32.52 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 3.54 110.309 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 15.4 ttt -132.29 107.21 8.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 4.6100000000000003 110.96 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.74 150.74 40.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 2.0699999999999998 111.021 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.37 170.22 3.94 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 3.8500000000000001 109.267 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -65.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.549 1.815 . . . . 3.8300000000000001 111.008 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . -120.04 -53.12 0.26 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.458 1.099 . . . . 3.6000000000000001 111.012 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 414' ' ' TYR . . . . . 0.493 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 25.2 t80 40.0 62.96 5.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.747 . . . . 2.46 110.955 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 415' ' ' PRO . . . . . 0.425 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -75.0 80.32 2.46 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.485 1.782 . . . . 1.9199999999999999 110.984 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . 0.493 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 19.7 mmtt -101.51 -173.4 2.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 2.8300000000000001 109.264 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.0 mt -133.07 149.89 52.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 2.23 109.331 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.622 HG23 ' CD1' ' A' ' 395' ' ' PHE . 0.9 OUTLIER -68.79 -47.12 77.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 1.6599999999999999 109.264 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 6.6 t -70.01 -25.29 63.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 1.3200000000000001 110.332 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -69.8 -64.01 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 1.5800000000000001 109.293 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -51.38 -54.75 23.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 2.3199999999999998 109.331 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 422' ' ' PHE . . . . . 0.662 ' O ' HD11 ' A' ' 425' ' ' ILE . 43.6 m-85 -121.26 109.88 15.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 2.5899999999999999 110.972 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -98.15 71.29 2.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 2.75 110.29 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . 0.725 ' CA ' HD11 ' A' ' 458' ' ' ILE . . . -160.79 24.49 0.26 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.132 . . . . 1.9099999999999999 111.006 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 425' ' ' ILE . . . . . 0.782 HD13 ' N ' ' A' ' 425' ' ' ILE . 0.2 OUTLIER -147.24 -48.18 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.503 0.767 . . . . 2.1699999999999999 109.279 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 426' ' ' GLY . . . . . 0.427 ' N ' HG12 ' A' ' 425' ' ' ILE . . . 130.34 179.67 16.22 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.453 1.095 . . . . 1.0800000000000001 111.053 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . 0.469 ' O ' HD13 ' A' ' 418' ' ' ILE . 18.2 Cg_endo -74.99 -29.36 8.31 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.517 1.798 . . . . 1.46 110.974 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.17 139.3 47.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 2.4700000000000002 109.23 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.33 167.46 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 1.9199999999999999 109.294 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 430' ' ' ASP . 0.2 OUTLIER -112.72 -50.52 2.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 2.9300000000000002 109.346 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 289' ' ' ASP . . . -153.62 149.22 27.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.90000000000000002 109.278 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.776 HG22 ' HB3' ' A' ' 442' ' ' PHE . 55.9 t -138.66 135.74 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.603 1.189 . . . . 3.1899999999999999 109.285 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' PHE . . . . . 0.544 ' CE2' HG22 ' A' ' 293' ' ' THR . 11.5 t80 -153.61 176.53 11.97 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.504 1.127 . . . . 6.7699999999999996 110.978 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' TYR . . . . . 0.612 ' O ' ' CD2' ' A' ' 434' ' ' TYR . 16.6 p90 -128.44 60.27 1.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 7.1900000000000004 111.026 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . 0.503 ' HB3' ' CE2' ' A' ' 433' ' ' PHE . 94.8 p -89.57 96.55 10.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 3.5099999999999998 110.005 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? 173.37 -156.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 3.9300000000000002 109.296 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -87.64 -28.96 21.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 3.3900000000000001 109.277 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . 0.41 ' O ' ' CG ' ' A' ' 438' ' ' LYS . 0.0 OUTLIER 176.37 65.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 3.1400000000000001 109.312 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -152.44 171.0 18.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 2.2999999999999998 111.046 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -119.69 118.18 30.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 3.3599999999999999 110.977 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' TYR . . . . . 0.552 ' CD1' ' HG3' ' A' ' 450' ' ' GLU . 0.9 OUTLIER -107.68 129.97 54.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 2.1800000000000002 111.002 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . 0.776 ' HB3' HG22 ' A' ' 432' ' ' VAL . 0.1 OUTLIER -138.16 163.37 31.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 4.79 110.978 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' PHE . . . . . 0.724 ' CE1' HG11 ' A' ' 291' ' ' VAL . 44.2 m-85 -123.03 123.67 41.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 4.4000000000000004 110.989 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . 0.418 ' O ' ' ND2' ' A' ' 447' ' ' ASN . 0.1 OUTLIER -135.41 60.05 1.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 3.73 110.317 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' GLY . . . . . 0.401 ' O ' ' ND2' ' A' ' 447' ' ' ASN . . . 89.89 82.88 1.35 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.566 1.167 . . . . 3.8999999999999999 111.03 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 17.7 p 41.05 43.12 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.771 . . . . 2.1800000000000002 110.047 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' ASN . . . . . 0.552 ' HB3' ' CD1' ' A' ' 449' ' ' PHE . 77.7 m-20 -132.88 110.18 10.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 1.97 109.325 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' GLN . . . . . 0.594 ' OE1' ' CZ ' ' A' ' 443' ' ' PHE . 6.7 tp60 -103.52 63.49 0.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 2.7400000000000002 110.296 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' PHE . . . . . 0.552 ' CD1' ' HB3' ' A' ' 447' ' ' ASN . 8.9 m-85 -80.38 152.47 28.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 2.6200000000000001 110.973 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 0.552 ' HG3' ' CD1' ' A' ' 441' ' ' TYR . 6.0 tt0 -116.43 163.08 16.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 3.7799999999999998 110.306 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' TYR . . . . . 0.538 ' CE1' ' HA ' ' A' ' 456' ' ' GLN . 2.1 t80 -145.47 137.26 25.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 2.7000000000000002 110.926 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -107.0 137.59 44.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 4.1900000000000004 109.315 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -89.07 8.14 31.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 4.9100000000000001 110.985 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 28.7 tp -107.85 -15.98 14.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 4.8600000000000003 109.337 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.448 ' O ' ' CB ' ' A' ' 456' ' ' GLN . 67.6 mt -133.65 -44.35 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 3.8399999999999999 109.28 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . 0.538 ' HA ' ' CE1' ' A' ' 451' ' ' TYR . 1.5 mt-30 82.43 34.79 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 3.48 110.331 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -117.34 178.56 4.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 4.1299999999999999 110.358 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' ILE . . . . . 0.725 HD11 ' CA ' ' A' ' 424' ' ' GLY . 71.3 mt -113.33 114.52 47.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 1.6899999999999999 109.281 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 12.2 p -114.21 12.7 17.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 3.23 110.444 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' LYS . . . . . 0.418 ' HD2' HD22 ' A' ' 462' ' ' LEU . 1.2 mmtt -146.79 125.07 12.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 3.0600000000000001 109.279 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . 0.721 HG22 ' O ' ' A' ' 461' ' ' THR . 1.4 m -141.94 59.57 1.48 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.469 1.106 . . . . 2.21 110.395 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' LEU . . . . . 0.696 HD12 ' HB3' ' A' ' 466' ' ' SER . 2.0 pt? -106.52 161.42 14.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 1.9399999999999999 109.29 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -90.73 150.83 21.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 3.8399999999999999 109.324 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -42.25 -37.32 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 1.8100000000000001 110.035 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 49.4 p30 -87.63 59.64 5.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 3.7599999999999998 109.284 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . 0.696 ' HB3' HD12 ' A' ' 462' ' ' LEU . 22.7 t -139.87 50.57 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 2.5499999999999998 109.999 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 467' ' ' TRP . . . . . 0.542 ' CG ' ' O ' ' A' ' 466' ' ' SER . 50.2 m95 -164.65 -44.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 4.1600000000000001 107.994 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 468' ' ' PHE . . . . . 0.645 ' CD1' HG22 ' A' ' 316' ' ' THR . 9.2 m-85 -69.62 -30.0 67.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 6.3099999999999996 110.988 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 109.79 61.76 0.51 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.492 1.12 . . . . 2.46 111.044 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 470' ' ' CYS . . . . . 1.151 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 N-CA-C 108.315 -0.994 . . . . 3.2599999999999998 108.315 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 471' ' ' ' CA' . . . . . 0.594 'CA ' ' O ' ' A' ' 289' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 277' ' ' MET . . . . . 0.425 ' O ' ' C ' ' A' ' 278' ' ' GLU . 10.2 tmm? . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 120.525 0.203 . . . . 7.0099999999999998 111.028 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 277' ' ' MET . 2.5 tp10 -37.17 100.86 0.21 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.417 1.073 . . . . 7.1200000000000001 110.258 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 279' ' ' PRO . . . . . 0.522 ' O ' ' HB2' ' A' ' 280' ' ' ALA . 18.4 Cg_endo -75.1 -161.57 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 2.9700000000000002 110.995 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 280' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 279' ' ' PRO . . . 174.24 107.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 3.5699999999999998 109.292 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 281' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 282' ' ' CYS . 21.9 mt -97.03 59.95 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 2.77 109.262 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 282' ' ' CYS . . . . . 1.058 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 0.8 OUTLIER 160.95 48.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 2.6000000000000001 108.32 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -175.47 130.33 0.41 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 3.1899999999999999 109.319 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 84.71 1.62 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.458 1.767 . . . . 1.8400000000000001 111.0 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -170.47 32.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 3.1800000000000002 109.319 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 286' ' ' LEU . . . . . 0.597 HD11 ' CH2' ' A' ' 307' ' ' TRP . 0.3 OUTLIER -101.22 127.08 47.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 2.8500000000000001 109.309 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.77 178.11 4.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.12 . . . . 3.1200000000000001 109.995 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 288' ' ' PHE . . . . . 0.449 ' CD2' ' CD1' ' A' ' 443' ' ' PHE . 51.4 m-85 -147.06 143.85 28.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 2.1400000000000001 111.044 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 289' ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' A' ' 431' ' ' ALA . 1.0 OUTLIER -104.2 -64.99 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 2.7400000000000002 109.3 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . 0.445 ' HB3' ' HB2' ' A' ' 301' ' ' PHE . . . -132.26 139.89 48.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.87 109.307 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 291' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 299' ' ' PHE . 2.8 p -147.34 140.32 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 2.4500000000000002 109.278 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . 0.603 ' HB ' ' HB1' ' A' ' 335' ' ' ALA . 4.5 t -135.86 164.64 27.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 1.22 110.397 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 38.5 p -120.0 131.67 55.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 3.0800000000000001 110.431 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 47.4 t -117.86 71.6 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 1.6599999999999999 109.307 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 89.22 -101.97 2.83 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.428 1.08 . . . . 2.2000000000000002 111.035 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -113.87 10.78 17.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 3.77 109.331 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.587 ' HA ' HG21 ' A' ' 310' ' ' VAL . 0.0 OUTLIER -108.39 178.0 4.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 3.1499999999999999 109.307 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 298' ' ' ILE . . . . . 0.441 ' C ' ' CD1' ' A' ' 299' ' ' PHE . 2.2 pt -143.93 151.35 16.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 1.8799999999999999 109.305 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 299' ' ' PHE . . . . . 0.733 ' O ' HG23 ' A' ' 291' ' ' VAL . 16.9 m-85 -140.11 142.6 36.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 2.7400000000000002 111.04 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 300' ' ' PHE . . . . . 0.437 ' CD1' ' N ' ' A' ' 300' ' ' PHE . 4.6 m-85 -130.23 136.53 49.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 2.6400000000000001 110.953 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 301' ' ' PHE . . . . . 0.572 ' CE2' HG13 ' A' ' 332' ' ' ILE . 69.7 m-85 -107.61 60.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 2.8100000000000001 111.005 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 302' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 301' ' ' PHE . 0.1 OUTLIER -36.16 -76.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 3.2400000000000002 109.305 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.67 -77.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 3.8500000000000001 109.297 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.17 -13.16 14.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 5.8099999999999996 110.332 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -114.65 156.03 25.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 2.3500000000000001 111.003 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 306' ' ' PHE . . . . . 0.587 ' CD1' ' O ' ' A' ' 306' ' ' PHE . 11.0 p90 -120.69 133.18 55.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 1.9099999999999999 111.013 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 307' ' ' TRP . . . . . 0.597 ' CH2' HD11 ' A' ' 286' ' ' LEU . 22.0 m0 -88.49 135.26 33.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 4.9699999999999998 108.006 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 308' ' ' LEU . 0.4 OUTLIER -135.79 88.3 2.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 2.1200000000000001 109.306 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 309' ' ' LYS . . . . . 0.471 ' CE ' ' HA ' ' A' ' 468' ' ' PHE . 1.3 ttpt -132.5 106.28 7.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 2.9700000000000002 109.296 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . 0.587 HG21 ' HA ' ' A' ' 297' ' ' LYS . 13.8 p -175.72 170.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 2.4900000000000002 109.3 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . 0.513 ' N ' HG22 ' A' ' 310' ' ' VAL . 46.8 t 68.17 -80.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 4.1200000000000001 109.991 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 312' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 314' ' ' PRO . 11.6 mm-40 -126.48 -43.11 1.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 4.25 110.311 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 313' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 312' ' ' GLU . 13.3 mtt85 -36.4 97.42 0.13 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 4.46 110.28 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 314' ' ' PRO . . . . . 0.438 ' N ' ' O ' ' A' ' 312' ' ' GLU . 18.3 Cg_endo -74.96 -25.05 12.3 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 3.0699999999999998 110.978 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -116.74 144.08 44.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 3.0099999999999998 109.3 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . 0.529 HG21 ' CD1' ' A' ' 468' ' ' PHE . 18.8 p -75.14 165.04 25.84 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.531 1.145 . . . . 1.3999999999999999 110.409 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.05 166.8 12.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 1.8400000000000001 109.984 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 318' ' ' VAL . . . . . 0.558 ' O ' HG12 ' A' ' 318' ' ' VAL . 73.4 t -144.38 68.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 1.9099999999999999 109.309 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -107.72 173.35 6.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 1.9399999999999999 109.314 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.33 153.2 20.08 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.486 1.116 . . . . 1.6699999999999999 109.251 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 321' ' ' ILE . . . . . 0.515 HG22 ' N ' ' A' ' 322' ' ' SER . 1.8 mt -69.85 -75.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 1.01 109.273 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 322' ' ' SER . . . . . 0.515 ' N ' HG22 ' A' ' 321' ' ' ILE . 14.9 m -37.64 -41.22 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 2.0299999999999998 109.983 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.28 -33.29 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 1.6799999999999999 109.983 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.44 -80.4 0.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 1.96 109.278 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 325' ' ' TRP . . . . . 0.618 ' HB3' HD23 ' A' ' 328' ' ' LEU . 0.7 OUTLIER -55.6 150.22 26.59 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 107.976 -1.12 . . . . 2.7400000000000002 107.976 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -79.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.525 1.803 . . . . 1.21 111.019 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 327' ' ' THR . . . . . 0.968 ' O ' HD22 ' A' ' 328' ' ' LEU . 8.3 t -100.37 93.64 5.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 1.5 110.38 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.968 HD22 ' O ' ' A' ' 327' ' ' THR . 2.8 mm? -140.8 137.36 17.14 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 1.28 109.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 329' ' ' PRO . . . . . 0.405 ' HD2' ' CD1' ' A' ' 328' ' ' LEU . 18.3 Cg_endo -75.03 161.82 38.07 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.499 1.789 . . . . 2.25 110.981 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 11.3 p -112.82 154.48 26.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 2.3199999999999998 110.007 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 62.23 53.57 41.31 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.475 1.109 . . . . 1.27 110.958 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.572 HG13 ' CE2' ' A' ' 301' ' ' PHE . 45.8 mm -53.46 138.34 12.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.42 0.718 . . . . 2.29 109.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.13 -39.63 17.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.093 . . . . 3.7000000000000002 110.245 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -152.68 122.78 7.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.87 109.326 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . 0.603 ' HB1' ' HB ' ' A' ' 292' ' ' THR . . . -102.25 126.65 49.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.91000000000000003 109.375 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 336' ' ' TYR . . . . . 0.463 ' HB2' ' HB3' ' A' ' 383' ' ' ALA . 0.7 OUTLIER -142.33 99.3 3.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 3.1400000000000001 110.977 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.5 159.64 30.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 3.4500000000000002 110.318 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . 0.439 HG22 ' H ' ' A' ' 341' ' ' ARG . 32.5 mt -127.73 130.44 70.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 3.0299999999999998 109.331 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -72.47 -39.09 68.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 3.96 110.335 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -60.99 -34.82 75.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 2.6600000000000001 109.263 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 341' ' ' ARG . . . . . 0.439 ' H ' HG22 ' A' ' 338' ' ' ILE . 0.3 OUTLIER -84.54 -21.33 30.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 3.7400000000000002 110.287 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 59.48 36.19 22.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 3.25 109.218 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -129.73 179.48 5.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.586 1.178 . . . . 3.9900000000000002 110.315 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 344' ' ' VAL . . . . . . . . . . . . . 56.7 t -145.81 142.73 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 1.7 109.308 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 345' ' ' PHE . . . . . 0.462 ' HE1' HD13 ' A' ' 354' ' ' LEU . 0.2 OUTLIER -145.11 91.7 2.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 4.2300000000000004 110.918 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 0.466 ' HB3' HD12 ' A' ' 332' ' ' ILE . 15.9 mt -84.28 162.0 20.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 2.5099999999999998 109.308 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -121.96 140.09 52.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 2.48 110.973 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 348' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -157.83 115.22 2.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.452 1.095 . . . . 4.5499999999999998 109.346 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 52.28 -152.15 0.26 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.577 1.173 . . . . 3.1499999999999999 109.316 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 350' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -86.23 44.46 1.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 2.9700000000000002 109.326 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -155.02 151.45 28.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 2.4199999999999999 109.301 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 352' ' ' TYR . . . . . 0.519 ' C ' ' CD1' ' A' ' 352' ' ' TYR . 3.2 p90 -139.11 146.29 40.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 3.3100000000000001 111.012 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -110.07 144.69 38.29 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.024 -1.102 . . . . 4.3899999999999997 108.024 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 354' ' ' LEU . . . . . 0.814 HD12 ' N ' ' A' ' 355' ' ' ILE . 5.2 tp -108.92 137.68 46.45 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.484 1.115 . . . . 1.8600000000000001 109.271 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.814 ' N ' HD12 ' A' ' 354' ' ' LEU . 1.3 mp -131.69 90.64 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 1.53 109.295 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 21.6 p -102.78 141.72 35.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 2.6099999999999999 110.007 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 357' ' ' ASN . . . . . 0.434 ' O ' HD23 ' A' ' 358' ' ' LEU . 19.7 m-20 60.89 39.97 16.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 3.8300000000000001 109.305 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 357' ' ' ASN . 0.3 OUTLIER 51.18 36.29 15.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 3.4900000000000002 109.249 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 12.1 mmm-85 -150.66 130.24 6.59 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.569 1.168 . . . . 4.0300000000000002 110.369 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 360' ' ' PRO . . . . . 0.42 ' HG2' HG22 ' A' ' 327' ' ' THR . 18.3 Cg_endo -74.99 159.01 41.91 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 1.48 111.004 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -78.54 158.25 76.35 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 3.1499999999999999 110.297 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 362' ' ' PRO . . . . . 0.556 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.4 Cg_endo -74.96 63.67 5.97 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.504 1.792 . . . . 2.1099999999999999 111.0 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 363' ' ' ASN . . . . . 0.556 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 7.5 m-20 86.22 103.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 4.6200000000000001 109.286 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 364' ' ' TYR . . . . . 0.568 ' CD2' ' HE3' ' A' ' 366' ' ' LYS . 0.1 OUTLIER -128.18 66.06 71.49 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 2.9500000000000002 110.968 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . 0.419 ' HD3' ' C ' ' A' ' 363' ' ' ASN . 18.2 Cg_endo -75.03 55.37 3.94 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.456 1.766 . . . . 1.6399999999999999 111.011 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 366' ' ' LYS . . . . . 0.568 ' HE3' ' CD2' ' A' ' 364' ' ' TYR . 0.2 OUTLIER -82.78 -179.69 7.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 2.2599999999999998 109.315 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 17.0 m -144.73 138.06 26.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 2.0699999999999998 109.995 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 18.8 pt -66.74 -11.39 13.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.45 1.094 . . . . 1.6599999999999999 109.292 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 369' ' ' HIS . . . . . 0.484 ' CA ' ' HB2' ' A' ' 373' ' ' PHE . 0.0 OUTLIER -70.27 -30.36 67.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 3.1499999999999999 109.559 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.87 -7.89 43.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 2.3700000000000001 110.027 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.03 8.67 40.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 5.7999999999999998 111.056 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . 143.12 -54.03 0.6 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.532 1.145 . . . . 4.1500000000000004 111.049 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 373' ' ' PHE . . . . . 0.484 ' HB2' ' CA ' ' A' ' 369' ' ' HIS . 37.7 t80 56.3 87.4 0.14 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.506 0.768 . . . . 5.1200000000000001 110.962 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 374' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.39 8.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 2.3799999999999999 111.025 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 59.59 74.99 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 7.1799999999999997 109.358 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 1.6 t80 179.32 -36.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 6.4000000000000004 110.991 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 377' ' ' VAL . . . . . 0.466 HG22 ' H ' ' A' ' 378' ' ' LYS . 0.8 OUTLIER -67.46 176.56 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 1.98 109.304 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 378' ' ' LYS . . . . . 0.466 ' H ' HG22 ' A' ' 377' ' ' VAL . 0.0 OUTLIER 179.77 -36.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 4.6799999999999997 109.317 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -150.64 138.53 19.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 1.6799999999999999 109.326 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 11.2 mt -101.41 145.0 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.126 . . . . 0.89000000000000001 109.349 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.7 -51.78 6.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 1.8400000000000001 109.321 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 382' ' ' ALA . . . . . 0.813 ' HB2' ' HA ' ' A' ' 431' ' ' ALA . . . -155.91 165.9 35.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.64000000000000001 109.203 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 383' ' ' ALA . . . . . 0.463 ' HB3' ' HB2' ' A' ' 336' ' ' TYR . . . -153.3 125.72 8.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.68999999999999995 109.27 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 46.9 t -149.94 159.51 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 2.7200000000000002 109.278 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -91.76 162.64 14.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 2.6899999999999999 111.044 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -116.84 95.92 47.63 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 2.4300000000000002 109.319 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 387' ' ' PRO . . . . . 0.557 ' HG3' ' CE2' ' A' ' 434' ' ' TYR . 18.3 Cg_endo -74.95 49.5 2.26 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.469 1.773 . . . . 4.6299999999999999 111.054 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 388' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 387' ' ' PRO . 0.4 OUTLIER -156.96 -39.07 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 3.6400000000000001 110.347 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.07 0.41 16.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 2.77 111.007 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 55.0 46.12 24.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 3.0899999999999999 110.966 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -140.25 152.31 45.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 2.8900000000000001 110.242 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 21.8 m -100.74 126.83 47.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.91000000000000003 110.402 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -84.59 135.7 34.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 2.5299999999999998 110.999 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -131.39 109.7 10.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 2.6200000000000001 111.06 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . 0.492 ' CD2' HG21 ' A' ' 429' ' ' ILE . 20.4 m-85 -100.76 131.99 46.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 1.21 110.988 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 396' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 398' ' ' ASN . 86.3 t -132.95 86.86 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 1.48 109.298 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 62.77 -84.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 4.8300000000000001 109.272 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 396' ' ' VAL . 4.5 m120 -129.58 44.51 2.96 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.475 1.11 . . . . 3.54 109.306 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.48 147.04 50.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 3.1600000000000001 110.291 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 400' ' ' TYR . . . . . 0.53 ' CE1' ' HG3' ' A' ' 402' ' ' ARG . 0.6 OUTLIER -128.65 85.95 2.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 2.5499999999999998 110.992 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -86.56 168.46 13.67 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.022 -1.103 . . . . 4.4500000000000002 108.022 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 402' ' ' ARG . . . . . 0.53 ' HG3' ' CE1' ' A' ' 400' ' ' TYR . 3.7 mtm180 -154.11 111.15 3.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 3.1699999999999999 110.279 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -90.11 130.01 36.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 4.96 111.012 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.51 123.16 27.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 2.3599999999999999 109.261 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.44 -50.01 6.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 2.9199999999999999 110.226 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -31.94 68.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 6.5499999999999998 110.274 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.58 -29.14 13.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 2.8599999999999999 110.274 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 67.12 43.41 2.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 3.3999999999999999 110.254 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 2.0 tpt -145.47 126.68 14.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 2.0299999999999998 111.029 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -67.27 135.48 53.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 3.0800000000000001 111.004 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.79 133.33 86.54 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 2.3799999999999999 109.271 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 412' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 413' ' ' GLY . 18.7 Cg_endo -74.97 118.62 5.33 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.803 . . . . 2.3700000000000001 111.022 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 413' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 412' ' ' PRO . . . 41.92 94.37 0.01 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.491 1.12 . . . . 1.99 110.95 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 414' ' ' TYR . . . . . 0.546 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 1.8 t80 -135.62 63.2 52.61 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 2.0800000000000001 110.992 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 415' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.5 Cg_endo -74.96 77.32 3.14 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.545 1.813 . . . . 1.71 111.003 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . 0.546 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 36.4 mmtt -96.61 173.26 7.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 2.5299999999999998 109.263 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -114.88 140.43 48.98 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.474 1.108 . . . . 2.0800000000000001 109.304 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 1.8 mp -70.07 -62.87 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.94999999999999996 109.323 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 12.5 t -37.83 -39.51 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.437 1.085 . . . . 1.2 110.411 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -65.43 -65.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 1.5 109.347 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . 0.579 ' OD1' ' CE2' ' A' ' 422' ' ' PHE . 25.9 t-20 -45.67 -35.3 4.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 2.29 109.362 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 422' ' ' PHE . . . . . 0.579 ' CE2' ' OD1' ' A' ' 421' ' ' ASN . 16.5 m-85 -150.89 117.75 5.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 2.7999999999999998 110.999 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -93.55 119.52 32.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 2.1600000000000001 110.341 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 149.64 -35.87 1.01 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.128 . . . . 1.9399999999999999 111.065 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 425' ' ' ILE . . . . . 0.541 ' H ' HD13 ' A' ' 425' ' ' ILE . 0.2 OUTLIER -86.7 -24.82 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.437 0.728 . . . . 2.3900000000000001 109.343 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 96.48 177.39 35.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.535 1.147 . . . . 1.03 110.966 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -9.35 20.8 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 1.3600000000000001 111.064 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.03 132.5 46.25 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.505 1.128 . . . . 4.1799999999999997 109.299 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 429' ' ' ILE . . . . . 0.495 ' CD1' ' O ' ' A' ' 431' ' ' ALA . 0.1 OUTLIER -127.16 140.77 48.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 2.1400000000000001 109.217 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 430' ' ' ASP . 0.9 OUTLIER -80.21 -64.31 1.22 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.084 . . . . 3.3199999999999998 109.338 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.813 ' HA ' ' HB2' ' A' ' 382' ' ' ALA . . . -151.76 173.67 14.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.93000000000000005 109.21 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.507 HG12 ' CB ' ' A' ' 382' ' ' ALA . 2.3 p -160.36 146.93 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 1.97 109.31 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' PHE . . . . . 0.645 ' CE1' ' CZ ' ' A' ' 443' ' ' PHE . 3.7 p90 -148.23 154.95 40.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 2.6899999999999999 110.998 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' TYR . . . . . 0.557 ' CE2' ' HG3' ' A' ' 387' ' ' PRO . 63.7 t80 -121.09 89.06 3.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 3.4700000000000002 110.996 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.81 -8.6 10.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.39 1.056 . . . . 2.5800000000000001 110.012 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' LYS . . . . . 0.52 ' HD3' ' CD1' ' A' ' 441' ' ' TYR . 0.0 OUTLIER -69.69 -167.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 5.1100000000000003 109.327 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -99.41 -37.01 9.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 3.6400000000000001 109.333 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . 0.471 ' O ' ' CD1' ' A' ' 439' ' ' TYR . 0.6 OUTLIER -161.54 46.51 0.18 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 4.6399999999999997 109.289 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' TYR . . . . . 0.471 ' CD1' ' O ' ' A' ' 438' ' ' LYS . 20.0 m-85 -144.81 163.34 34.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 3.1800000000000002 110.972 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' TYR . . . . . 0.443 ' N ' ' CD1' ' A' ' 440' ' ' TYR . 10.1 m-85 -129.2 113.39 14.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 3.6299999999999999 110.979 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' TYR . . . . . 0.52 ' CD1' ' HD3' ' A' ' 436' ' ' LYS . 7.2 m-85 -94.51 143.62 26.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 3.5899999999999999 110.994 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . 0.409 ' CE1' HG21 ' A' ' 432' ' ' VAL . 97.9 m-85 -135.13 145.62 48.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 3.5800000000000001 110.971 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' PHE . . . . . 0.645 ' CZ ' ' CE1' ' A' ' 433' ' ' PHE . 66.2 m-85 -111.03 112.86 24.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 4.5599999999999996 110.995 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -125.86 82.2 2.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 3.3999999999999999 110.271 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 101.72 -95.59 1.36 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.139 . . . . 1.8799999999999999 110.961 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 286' ' ' LEU . 8.8 p -141.65 44.13 1.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 0.73 . . . . 2.1299999999999999 110.021 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -144.61 141.76 29.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 2.6099999999999999 109.256 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -129.97 71.8 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 4.5700000000000003 110.282 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' PHE . . . . . 0.516 ' HB3' HG23 ' A' ' 461' ' ' THR . 3.8 p90 -79.26 174.12 11.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 4.6299999999999999 111.021 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 0.477 ' HG3' ' CE1' ' A' ' 441' ' ' TYR . 40.2 tt0 -107.12 159.03 16.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 3.1899999999999999 110.298 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' TYR . . . . . 0.404 ' N ' ' HG2' ' A' ' 450' ' ' GLU . 16.1 t80 -137.5 128.21 27.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 3.04 110.968 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' ASP . . . . . 0.4 ' CB ' ' HB2' ' A' ' 455' ' ' LEU . 75.5 m-20 -91.91 139.28 30.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.162 . . . . 3.5699999999999998 109.321 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -88.29 -22.85 23.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.393 1.058 . . . . 3.4900000000000002 111.023 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 19.5 tp -95.79 -2.05 48.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 3.5899999999999999 109.231 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.509 ' HA ' HD23 ' A' ' 455' ' ' LEU . 4.7 mt -124.67 -42.67 2.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 3.4900000000000002 109.31 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' ' 455' ' ' LEU . 23.5 mt-30 77.44 17.8 1.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 2.9399999999999999 110.297 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.49 164.35 18.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 3.8799999999999999 110.266 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' ILE . . . . . 0.456 ' CG2' ' HB2' ' A' ' 449' ' ' PHE . 44.3 mt -98.02 112.24 29.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 2.0800000000000001 109.278 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' THR . . . . . 0.468 ' OG1' ' N ' ' A' ' 460' ' ' LYS . 39.0 p -69.96 -70.14 0.31 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 2.8100000000000001 110.339 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' LYS . . . . . 0.468 ' N ' ' OG1' ' A' ' 459' ' ' THR . 0.2 OUTLIER -110.92 147.43 34.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 5.5999999999999996 109.293 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . 0.516 HG23 ' HB3' ' A' ' 449' ' ' PHE . 3.7 m -132.58 100.74 5.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 2.3900000000000001 110.409 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' LEU . . . . . 0.484 ' CB ' ' HB3' ' A' ' 466' ' ' SER . 1.1 mm? -84.01 179.65 7.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 3.8500000000000001 109.263 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' LYS . . . . . 0.421 ' C ' ' N ' ' A' ' 465' ' ' ASN . 0.0 OUTLIER -121.88 74.47 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 3.2000000000000002 109.312 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 44.92 25.35 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 2.1200000000000001 110.019 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . 0.421 ' N ' ' C ' ' A' ' 463' ' ' LYS . 9.3 m-80 -135.13 32.98 3.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 3.1200000000000001 109.329 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . 0.484 ' HB3' ' CB ' ' A' ' 462' ' ' LEU . 0.9 OUTLIER -100.15 33.44 2.63 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.15 . . . . 5.0999999999999996 110.026 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 467' ' ' TRP . . . . . 0.564 ' O ' ' CG ' ' A' ' 468' ' ' PHE . 4.4 m95 177.08 56.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 5.4100000000000001 108.025 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 468' ' ' PHE . . . . . 0.573 ' CE1' ' CZ3' ' A' ' 307' ' ' TRP . 86.3 m-85 -163.42 -41.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 6.8399999999999999 110.934 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 109.74 67.45 0.58 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.457 1.098 . . . . 2.8799999999999999 110.98 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 470' ' ' CYS . . . . . 1.058 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 1.1 m . . . . . 0 C--N 1.324 -0.519 0 N-CA-C 108.283 -1.006 . . . . 4.0199999999999996 108.283 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 471' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 277' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.5 0.19 . . . . 9.4800000000000004 110.999 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -123.44 113.73 29.09 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 8.0199999999999996 110.308 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -86.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 4.0300000000000002 110.995 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 280' ' ' ALA . . . . . . . . . . . . . . . -166.86 -52.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 4.4299999999999997 109.254 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 281' ' ' LEU . . . . . 0.505 HD11 ' HE1' ' A' ' 307' ' ' TRP . 0.4 OUTLIER 73.75 36.04 0.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 3.71 109.299 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 282' ' ' CYS . . . . . 0.998 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 0.5 OUTLIER 178.75 42.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 3.7400000000000002 108.382 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.83 154.26 16.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 3.4700000000000002 109.298 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 56.9 4.38 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.532 1.806 . . . . 2.5899999999999999 111.073 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -165.11 55.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 3.1899999999999999 109.244 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 10.8 tp -108.33 148.09 30.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 2.8500000000000001 109.253 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 81.5 p -134.87 157.11 47.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 1.72 109.997 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -124.15 170.23 10.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 1.8899999999999999 111.047 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 289' ' ' ASP . . . . . 0.834 ' O ' 'CA ' ' A' ' 471' ' ' ' CA' . 0.2 OUTLIER -114.42 -56.71 2.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 2.2599999999999998 109.261 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . 0.449 ' CB ' HG22 ' A' ' 332' ' ' ILE . . . -138.75 172.55 12.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.1499999999999999 109.285 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 291' ' ' VAL . . . . . 0.75 HG22 ' HB1' ' A' ' 431' ' ' ALA . 8.5 m -152.65 137.71 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 2.27 109.266 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . 0.414 ' HB ' ' CB ' ' A' ' 335' ' ' ALA . 0.6 OUTLIER -131.65 151.29 51.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 1.53 110.297 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 15.8 p -130.78 106.53 8.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 3.6800000000000002 110.363 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 98.7 t -121.81 84.93 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 2.3599999999999999 109.291 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 85.0 -120.03 5.19 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 1.9099999999999999 111.011 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 296' ' ' ASN . . . . . 0.677 ' O ' HG21 ' A' ' 310' ' ' VAL . 16.2 p-10 -108.01 11.3 27.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 0.756 . . . . 4.4800000000000004 109.279 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.41 145.79 31.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 2.6400000000000001 109.287 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 298' ' ' ILE . . . . . 0.599 HD12 ' HZ ' ' A' ' 300' ' ' PHE . 10.6 pt -132.44 151.52 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 1.96 109.321 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 299' ' ' PHE . . . . . 0.713 ' CE2' HD23 ' A' ' 308' ' ' LEU . 33.9 m-85 -141.91 150.16 41.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 2.3399999999999999 110.97 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 300' ' ' PHE . . . . . 0.599 ' HZ ' HD12 ' A' ' 298' ' ' ILE . 0.4 OUTLIER -143.39 104.66 4.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 2.77 111.004 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 301' ' ' PHE . . . . . 0.668 ' CD1' HD13 ' A' ' 332' ' ' ILE . 41.5 m-85 -81.68 155.86 25.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 2.3199999999999998 110.995 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 302' ' ' LYS . . . . . 0.443 ' HB2' ' CZ3' ' A' ' 307' ' ' TRP . 0.0 OUTLIER -127.06 -53.55 1.4 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 4.3799999999999999 109.253 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 303' ' ' ASP . . . . . 0.435 ' O ' ' HB2' ' A' ' 304' ' ' ARG . 19.5 t70 -165.3 79.76 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 4.75 109.292 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 304' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 303' ' ' ASP . 2.8 mmt-85 80.45 -10.27 1.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 6.5199999999999996 110.35 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . 0.536 ' CD2' HG12 ' A' ' 318' ' ' VAL . 8.5 m-85 -104.73 153.12 21.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 2.8100000000000001 110.966 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 306' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -121.05 146.41 46.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 2.1400000000000001 110.968 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 307' ' ' TRP . . . . . 0.576 ' CH2' HG13 ' A' ' 318' ' ' VAL . 1.3 m-90 -102.75 137.29 41.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 5.1100000000000003 107.975 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.713 HD23 ' CE2' ' A' ' 299' ' ' PHE . 1.1 tm? -137.37 105.08 5.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 2.3199999999999998 109.246 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 309' ' ' LYS . . . . . 0.599 ' C ' HG12 ' A' ' 310' ' ' VAL . 0.8 OUTLIER -153.23 105.22 2.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 2.7999999999999998 109.273 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . 0.677 HG21 ' O ' ' A' ' 296' ' ' ASN . 0.2 OUTLIER 177.81 -72.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 2.5099999999999998 109.327 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . 0.535 ' H ' HG13 ' A' ' 310' ' ' VAL . 33.2 p -37.33 -82.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 6.4500000000000002 110.062 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -145.73 66.08 1.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 7.1600000000000001 110.298 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 313' ' ' ARG . . . . . 0.556 ' HD3' HD12 ' A' ' 308' ' ' LEU . 0.0 OUTLIER -127.48 128.78 23.94 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 4.9699999999999998 110.266 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -37.16 2.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 2.6099999999999999 110.946 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 19.6 ttmt -139.88 163.95 31.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 4.0300000000000002 109.322 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 23.5 p -75.47 136.86 40.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 1.47 110.409 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.94 128.84 55.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 2.3999999999999999 109.995 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 318' ' ' VAL . . . . . 0.576 HG13 ' CH2' ' A' ' 307' ' ' TRP . 38.1 t -96.26 73.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 2.1099999999999999 109.282 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . 0.52 ' O ' ' CD2' ' A' ' 305' ' ' PHE . 2.0 m120 -96.76 179.64 4.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 2.4300000000000002 109.309 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 321' ' ' ILE . 10.3 tp -93.19 152.01 19.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.076 . . . . 2.1800000000000002 109.263 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 321' ' ' ILE . . . . . 0.407 ' N ' ' HG ' ' A' ' 320' ' ' LEU . 42.4 mt -67.36 -62.23 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 1.0700000000000001 109.286 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.61 -26.86 0.67 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 3.0699999999999998 109.985 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.51 -41.66 61.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 1.5 109.95 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.48 -76.29 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.594 1.184 . . . . 2.0699999999999998 109.256 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -48.79 153.04 1.54 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 1.75 108.05 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 326' ' ' PRO . . . . . 0.475 ' HG2' ' CG ' ' A' ' 360' ' ' PRO . 18.4 Cg_endo -75.0 -79.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.475 1.776 . . . . 1.26 110.996 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 327' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.0 96.52 4.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.42 1.075 . . . . 1.5600000000000001 110.422 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -113.03 161.72 25.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 1.3200000000000001 109.338 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -3.93 14.65 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.783 . . . . 2.75 111.006 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 330' ' ' SER . . . . . 0.565 ' O ' ' C ' ' A' ' 331' ' ' GLY . 0.9 OUTLIER 53.04 -162.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 2.71 109.961 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . 0.565 ' C ' ' O ' ' A' ' 330' ' ' SER . . . 21.54 61.91 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.519 1.137 . . . . 1.3300000000000001 110.976 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.668 HD13 ' CD1' ' A' ' 301' ' ' PHE . 4.1 mp -65.61 113.76 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 2.1400000000000001 109.268 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . 0.432 ' C ' ' HB2' ' A' ' 290' ' ' ALA . 73.1 mm-40 -81.92 -34.8 29.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 3.77 110.315 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -156.63 129.54 7.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 1.3700000000000001 109.252 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . 0.414 ' CB ' ' HB ' ' A' ' 292' ' ' THR . . . -109.33 149.99 28.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0800000000000001 109.273 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 336' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -140.39 160.0 40.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 3.6299999999999999 110.989 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -134.44 136.39 43.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 4.79 110.23 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 340' ' ' ALA . 0.5 OUTLIER -107.91 84.69 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 4.2199999999999998 109.327 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -67.13 73.19 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 4.4699999999999998 110.299 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 338' ' ' ILE . . . -156.52 -55.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 2.7000000000000002 109.35 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -112.91 10.11 18.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 4.6699999999999999 110.317 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 56.59 75.64 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 2.8399999999999999 109.353 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . 0.414 ' OE1' ' CE1' ' A' ' 345' ' ' PHE . 1.1 mt-30 -131.53 173.7 10.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 3.5600000000000001 110.314 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 344' ' ' VAL . . . . . . . . . . . . . 89.8 t -142.85 139.67 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 1.3 109.367 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 345' ' ' PHE . . . . . 0.414 ' CE1' ' OE1' ' A' ' 343' ' ' GLN . 44.0 m-85 -131.68 137.32 48.25 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.542 1.151 . . . . 2.6099999999999999 111.036 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 0.442 HD12 HG21 ' A' ' 332' ' ' ILE . 2.6 mm? -123.11 120.86 34.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 1.6799999999999999 109.305 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 347' ' ' PHE . . . . . 0.616 ' CG ' HD12 ' A' ' 380' ' ' ILE . 16.5 m-85 -87.67 138.19 31.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 2.9100000000000001 110.999 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 348' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.81 112.92 2.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 3.2599999999999998 109.334 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 3.2 t0 53.75 -151.0 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 3.0800000000000001 109.27 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 350' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 350' ' ' ASP . 2.5 p-10 -87.13 43.98 1.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 3.6400000000000001 109.324 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -151.31 149.41 29.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 1.6499999999999999 109.271 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 352' ' ' TYR . . . . . 0.575 ' C ' ' CD1' ' A' ' 352' ' ' TYR . 1.0 OUTLIER -130.49 154.31 47.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 3.7400000000000002 111.009 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -121.43 147.25 45.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.558 1.161 . . . . 5.9000000000000004 107.984 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 354' ' ' LEU . . . . . 0.825 HD12 ' N ' ' A' ' 355' ' ' ILE . 1.8 tp -114.33 138.02 51.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.568 1.168 . . . . 1.74 109.251 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.825 ' N ' HD12 ' A' ' 354' ' ' LEU . 2.0 mp -132.34 103.43 6.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 1.4399999999999999 109.319 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 33.0 t -111.36 136.11 50.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 2.3700000000000001 109.986 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 7.8 m120 58.08 44.98 18.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 3.1000000000000001 109.306 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 53.45 36.71 23.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 3.3199999999999998 109.32 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.7 129.29 6.46 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 3.3799999999999999 110.28 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 360' ' ' PRO . . . . . 0.475 ' CG ' ' HG2' ' A' ' 326' ' ' PRO . 18.4 Cg_endo -75.07 167.24 27.42 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.544 1.812 . . . . 1.77 111.003 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -76.49 159.86 78.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 2.8900000000000001 110.197 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 362' ' ' PRO . . . . . 0.56 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.0 Cg_endo -75.17 56.83 4.48 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.473 1.775 . . . . 1.8700000000000001 110.98 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 363' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 5.6 m-20 86.75 96.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 5.2800000000000002 109.371 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 364' ' ' TYR . . . . . 0.555 ' CD2' ' HE3' ' A' ' 366' ' ' LYS . 0.1 OUTLIER -127.99 64.82 66.94 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.375 1.047 . . . . 3.0699999999999998 111.005 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . 0.442 ' HD3' ' C ' ' A' ' 363' ' ' ASN . 18.3 Cg_endo -74.98 54.33 3.6 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.472 1.775 . . . . 1.76 110.983 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 366' ' ' LYS . . . . . 0.555 ' HE3' ' CD2' ' A' ' 364' ' ' TYR . 0.1 OUTLIER -84.48 179.28 7.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.098 . . . . 2.4100000000000001 109.284 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 5.0 m -136.15 132.77 36.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 2.3500000000000001 109.967 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . 0.428 HG23 ' HB3' ' A' ' 352' ' ' TYR . 39.0 pt -57.23 -25.19 22.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 2.1099999999999999 109.254 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -69.55 -26.57 64.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 3.6699999999999999 109.662 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.6 -9.85 39.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 2.6400000000000001 110.009 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -153.5 39.51 0.5 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.49 1.119 . . . . 6.8799999999999999 111.051 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 372' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -145.25 -67.11 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.498 1.124 . . . . 2.9300000000000002 111.011 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 373' ' ' PHE . . . . . 0.456 ' N ' ' HD3' ' A' ' 374' ' ' PRO . 1.3 t80 35.57 60.68 2.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.528 0.781 . . . . 5.8300000000000001 110.968 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 374' ' ' PRO . . . . . 0.659 ' HG2' HG13 ' A' ' 377' ' ' VAL . 18.5 Cg_endo -74.87 -88.01 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.553 1.818 . . . . 3.5 110.973 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -135.95 -46.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 6.5899999999999999 109.227 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -171.32 84.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 4.7000000000000002 111.045 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 377' ' ' VAL . . . . . 0.659 HG13 ' HG2' ' A' ' 374' ' ' PRO . 11.4 m -109.03 169.19 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 2.71 109.284 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.84 -34.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 2.8999999999999999 109.254 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.91 126.09 16.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 1.73 109.265 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . 0.616 HD12 ' CG ' ' A' ' 347' ' ' PHE . 38.9 mt -98.22 141.86 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 1.1599999999999999 109.271 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -87.02 -48.46 8.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 2.1000000000000001 109.377 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 382' ' ' ALA . . . . . 0.55 ' CB ' HG12 ' A' ' 432' ' ' VAL . . . -158.6 169.74 23.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.75 109.27 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -160.11 128.02 4.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.586 1.179 . . . . 0.80000000000000004 109.254 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . 0.43 HG22 ' N ' ' A' ' 385' ' ' PHE . 8.7 p -130.48 166.55 27.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 2.1800000000000002 109.285 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 385' ' ' PHE . . . . . 0.43 ' N ' HG22 ' A' ' 384' ' ' VAL . 31.6 t80 -117.19 131.72 56.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 1.8100000000000001 110.945 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -93.51 121.56 64.64 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 2.5499999999999998 109.318 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -43.65 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.538 1.81 . . . . 2.3999999999999999 111.004 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.2 44.43 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 2.52 110.259 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 389' ' ' PHE . . . . . 0.565 ' C ' ' CG ' ' A' ' 390' ' ' TYR . 0.1 OUTLIER -172.69 -37.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.588 1.18 . . . . 3.1400000000000001 111.065 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 390' ' ' TYR . . . . . 0.565 ' CG ' ' C ' ' A' ' 389' ' ' PHE . 3.0 m-85 72.33 39.79 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 2.3500000000000001 110.964 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -132.1 145.8 51.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 2.8100000000000001 110.355 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 29.5 m -102.47 114.17 28.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.80000000000000004 110.419 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . 0.406 ' CE2' ' OH ' ' A' ' 400' ' ' TYR . 13.0 m-85 -79.66 117.08 20.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 2.1699999999999999 110.96 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -102.4 127.69 49.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 2.1000000000000001 111.057 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . 0.423 ' HE2' HG23 ' A' ' 418' ' ' ILE . 53.1 m-85 -106.07 113.9 27.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 1.0800000000000001 110.909 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 93.6 t -134.8 122.64 38.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.147 . . . . 1.73 109.329 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 52.8 -151.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.406 1.066 . . . . 3.6400000000000001 109.224 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -87.72 49.21 1.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 3.46 109.271 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -148.06 163.16 37.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 3.3199999999999998 110.27 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 400' ' ' TYR . . . . . 0.545 ' CD1' ' C ' ' A' ' 400' ' ' TYR . 0.1 OUTLIER -132.27 120.13 21.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 2.23 111.001 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 6.0 m-90 -113.2 164.52 13.42 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.933 -1.136 . . . . 4.9900000000000002 107.933 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -146.51 126.99 14.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 3.0 110.355 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -101.09 147.26 26.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 6.3300000000000001 110.969 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.51 127.52 39.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 1.8200000000000001 109.362 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.52 -50.59 4.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 3.54 110.32 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -65.03 -28.97 69.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 6.7800000000000002 110.242 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 407' ' ' ARG . . . . . 0.428 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 1.5 mmt85 -91.7 -44.67 8.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 3.02 110.242 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . 0.428 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 14.8 tt0 81.0 39.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.085 . . . . 2.8300000000000001 110.334 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 4.5 tpt -144.69 111.16 5.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 3.2799999999999998 110.949 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.0 139.21 54.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 4.8399999999999999 110.952 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -94.33 112.09 56.18 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 3.9399999999999999 109.277 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -55.82 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.468 1.773 . . . . 4.8200000000000003 111.008 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . -74.16 64.16 2.04 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.501 1.125 . . . . 2.2200000000000002 111.039 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 414' ' ' TYR . . . . . 0.553 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 1.9 t80 -136.29 61.67 40.18 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.431 0.724 . . . . 2.3700000000000001 111.024 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 415' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -74.95 67.87 5.81 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.54 1.811 . . . . 1.6200000000000001 111.002 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . 0.553 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 18.0 mmtt -87.66 173.51 8.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 2.5600000000000001 109.333 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.98 153.86 39.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 1.9299999999999999 109.332 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.727 HD13 ' O ' ' A' ' 427' ' ' PRO . 4.4 mp -69.95 -51.78 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.594 1.184 . . . . 1.29 109.293 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 17.2 m -57.28 -49.17 76.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 2.6499999999999999 110.439 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -50.24 -66.17 0.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 2.6699999999999999 109.3 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . 0.508 ' OD1' ' CE2' ' A' ' 422' ' ' PHE . 11.4 t-20 -42.01 -53.51 3.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 2.6099999999999999 109.284 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 422' ' ' PHE . . . . . 0.553 ' HB3' ' CE2' ' A' ' 451' ' ' TYR . 51.1 m-85 -131.67 99.64 4.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 2.75 111.01 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -78.7 110.75 14.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 2.4199999999999999 110.25 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . 0.49 ' HA3' ' CD1' ' A' ' 458' ' ' ILE . . . 131.6 41.76 0.2 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.558 1.161 . . . . 2.6499999999999999 110.946 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 425' ' ' ILE . . . . . 0.441 ' CD1' ' HB2' ' A' ' 422' ' ' PHE . 1.4 pt -147.16 -58.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.583 0.814 . . . . 2.2799999999999998 109.304 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 143.5 164.32 10.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.434 1.084 . . . . 1.1399999999999999 110.972 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . 0.727 ' O ' HD13 ' A' ' 418' ' ' ILE . 18.2 Cg_endo -75.05 -24.49 12.69 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.45 1.763 . . . . 1.1899999999999999 110.983 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.7 141.35 48.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 2.5 109.29 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 429' ' ' ILE . . . . . 0.53 HD12 ' HD1' ' A' ' 442' ' ' PHE . 1.5 mm -134.17 141.27 44.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 2.1000000000000001 109.272 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.99 -71.06 0.71 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 2.3100000000000001 109.307 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.75 ' HB1' HG22 ' A' ' 291' ' ' VAL . . . -123.7 144.21 49.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 1.26 109.36 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.966 HG21 ' CE1' ' A' ' 442' ' ' PHE . 2.5 p -160.07 108.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 2.1299999999999999 109.308 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -118.26 166.95 12.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 2.5099999999999998 111.015 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' TYR . . . . . 0.428 ' O ' ' CD2' ' A' ' 434' ' ' TYR . 90.2 t80 -127.33 79.11 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 3.3599999999999999 111.02 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.72 -18.67 13.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 2.1899999999999999 109.964 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' LYS . . . . . 0.561 ' HE3' ' CE2' ' A' ' 441' ' ' TYR . 31.9 mmtt -71.3 -152.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 5.3899999999999997 109.306 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' ASN . . . . . 0.45 ' O ' ' CD2' ' A' ' 439' ' ' TYR . 21.5 t-20 -123.25 114.91 20.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 4.7699999999999996 109.268 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.96 29.48 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.074 . . . . 3.04 109.319 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' TYR . . . . . 0.45 ' CD2' ' O ' ' A' ' 437' ' ' ASN . 11.8 m-85 -131.04 144.76 51.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 2.21 111.0 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -118.87 127.86 53.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 3.3300000000000001 110.968 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' TYR . . . . . 0.561 ' CE2' ' HE3' ' A' ' 436' ' ' LYS . 3.4 m-30 -105.53 127.1 52.83 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.452 1.095 . . . . 2.73 111.021 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . 0.966 ' CE1' HG21 ' A' ' 432' ' ' VAL . 24.9 m-85 -124.12 140.42 52.98 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.122 . . . . 3.2400000000000002 111.06 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' PHE . . . . . 0.552 ' C ' ' CD1' ' A' ' 443' ' ' PHE . 0.1 OUTLIER -142.18 141.01 32.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 5.4299999999999997 110.986 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -152.39 69.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 4.1900000000000004 110.314 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 137.67 -89.7 0.21 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.539 1.149 . . . . 1.77 111.024 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 3.8 t -150.58 40.22 0.75 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.546 0.792 . . . . 2.0299999999999998 109.959 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -148.45 142.85 26.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 2.0699999999999998 109.284 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -121.37 97.06 5.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 3.2000000000000002 110.297 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -87.23 151.62 23.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 2.8999999999999999 110.957 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 0.401 ' HG2' ' N ' ' A' ' 451' ' ' TYR . 20.3 tt0 -117.56 143.65 45.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 3.4300000000000002 110.27 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 422' ' ' PHE . 1.2 t80 -121.63 113.19 19.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 2.9700000000000002 111.008 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -97.21 106.63 19.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 3.48 109.377 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -55.47 -17.09 4.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 3.3399999999999999 110.966 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 41.9 tp -41.3 -44.49 2.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 2.3300000000000001 109.271 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -164.92 30.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 2.4399999999999999 109.352 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . 0.47 ' HA ' ' CE1' ' A' ' 451' ' ' TYR . 3.4 mt-30 45.7 75.78 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 2.8100000000000001 110.302 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -136.82 121.42 18.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 4.8300000000000001 110.346 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' ILE . . . . . 0.49 ' CD1' ' HA3' ' A' ' 424' ' ' GLY . 3.0 mp -91.83 88.2 2.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 2.5299999999999998 109.304 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 9.5 t -113.25 44.4 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 4.1399999999999997 110.363 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.46 116.71 2.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 3.9500000000000002 109.31 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 54.8 m -138.86 79.71 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 2.5099999999999998 110.392 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -97.18 161.3 13.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 2.1299999999999999 109.316 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.75 146.51 24.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 3.1400000000000001 109.359 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 24.5 p -40.44 -42.51 1.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 1.97 109.997 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -99.34 72.99 1.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.402 1.064 . . . . 2.9100000000000001 109.364 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 4.2 t -120.37 -7.2 9.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 2.5499999999999998 109.979 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 467' ' ' TRP . . . . . 0.424 ' O ' ' C ' ' A' ' 468' ' ' PHE . 9.6 m95 -122.05 -70.18 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 4.3700000000000001 108.025 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 468' ' ' PHE . . . . . 0.424 ' C ' ' O ' ' A' ' 467' ' ' TRP . 18.4 m-85 -35.84 -50.6 0.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 7.9699999999999998 110.932 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . 0.416 ' O ' ' SG ' ' A' ' 470' ' ' CYS . . . 104.58 51.83 0.89 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.512 1.132 . . . . 3.25 110.985 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 470' ' ' CYS . . . . . 0.998 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 1.5 p . . . . . 0 C--N 1.324 -0.506 0 N-CA-C 108.265 -1.013 . . . . 7.8700000000000001 108.265 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 471' ' ' ' CA' . . . . . 0.834 'CA ' ' O ' ' A' ' 289' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 277' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.496 0.188 . . . . 10.9 110.984 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . 0.471 ' N ' ' HD3' ' A' ' 279' ' ' PRO . 0.7 OUTLIER -157.07 60.86 2.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 10.220000000000001 110.343 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 279' ' ' PRO . . . . . 0.615 ' CG ' ' CZ2' ' A' ' 307' ' ' TRP . 18.4 Cg_endo -75.01 100.29 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.54 1.811 . . . . 4.6500000000000004 111.061 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 280' ' ' ALA . . . . . 0.661 ' HB1' HD22 ' A' ' 285' ' ' ASN . . . 27.84 56.22 0.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.162 . . . . 4.1699999999999999 109.276 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 281' ' ' LEU . . . . . 0.423 ' HA ' HD23 ' A' ' 281' ' ' LEU . 11.4 mt -103.19 40.12 1.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 2.8599999999999999 109.314 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 282' ' ' CYS . . . . . 1.055 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 0.1 OUTLIER -171.79 -60.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 4.1100000000000003 108.241 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 283' ' ' ASP . . . . . 0.437 ' O ' ' ND2' ' A' ' 285' ' ' ASN . 0.9 OUTLIER -69.14 146.88 97.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 3.6899999999999999 109.29 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 84.68 1.62 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.562 1.822 . . . . 1.6200000000000001 111.032 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 285' ' ' ASN . . . . . 0.661 HD22 ' HB1' ' A' ' 280' ' ' ALA . 0.1 OUTLIER -167.19 32.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 2.8900000000000001 109.289 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 286' ' ' LEU . . . . . 0.588 HD13 ' N ' ' A' ' 287' ' ' SER . 3.1 tm? -106.53 139.26 41.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 3.7000000000000002 109.297 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 287' ' ' SER . . . . . 0.588 ' N ' HD13 ' A' ' 286' ' ' LEU . 2.2 p -123.26 153.33 40.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 1.5700000000000001 109.971 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 288' ' ' PHE . . . . . 0.543 ' CE2' ' CE2' ' A' ' 443' ' ' PHE . 18.5 m-85 -112.88 171.43 7.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 2.4399999999999999 111.022 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -145.23 -57.1 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 4.0899999999999999 109.274 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -126.51 122.02 33.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 1.3400000000000001 109.264 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 291' ' ' VAL . . . . . 0.534 HG13 ' CE1' ' A' ' 300' ' ' PHE . 63.2 t -131.21 134.25 61.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 2.0600000000000001 109.333 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 10.1 t -151.23 168.87 23.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 1.21 110.352 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 293' ' ' THR . . . . . 0.62 HG21 ' CB ' ' A' ' 435' ' ' SER . 22.7 p -122.64 166.66 14.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 2.5600000000000001 110.444 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 294' ' ' VAL . . . . . 0.552 ' O ' HG12 ' A' ' 294' ' ' VAL . 87.6 t -146.33 61.53 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.587 1.179 . . . . 1.9299999999999999 109.346 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . 0.475 ' O ' ' CB ' ' A' ' 296' ' ' ASN . . . 64.73 71.54 0.85 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.544 1.152 . . . . 3.0699999999999998 110.97 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 296' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 295' ' ' GLY . 1.9 t30 80.05 -2.93 1.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 3.6600000000000001 109.292 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.616 ' HA ' HG23 ' A' ' 310' ' ' VAL . 3.5 mtpp -103.53 162.0 13.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 2.75 109.34 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 298' ' ' ILE . . . . . 0.613 HG21 ' CZ ' ' A' ' 300' ' ' PHE . 5.2 mt -140.2 157.01 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 2.23 109.364 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 299' ' ' PHE . . . . . 0.849 ' CD1' HD23 ' A' ' 308' ' ' LEU . 63.2 m-85 -151.37 114.21 4.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 2.2000000000000002 110.99 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 300' ' ' PHE . . . . . 0.613 ' CZ ' HG21 ' A' ' 298' ' ' ILE . 21.8 m-85 -110.45 152.62 26.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 2.7599999999999998 111.001 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 301' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 301' ' ' PHE . 4.8 m-85 -136.96 163.58 30.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 3.1800000000000002 110.993 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 302' ' ' LYS . . . . . 0.495 ' HG3' ' CH2' ' A' ' 307' ' ' TRP . 0.9 OUTLIER -147.14 96.4 2.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 2.8900000000000001 109.32 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.21 -82.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.417 1.073 . . . . 3.4100000000000001 109.286 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.3 -12.81 7.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 6.2199999999999998 110.303 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . 0.404 ' CE1' HG12 ' A' ' 318' ' ' VAL . 0.1 OUTLIER -81.4 130.76 35.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 3.6600000000000001 111.054 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 306' ' ' PHE . . . . . 0.537 ' CD2' ' ND2' ' A' ' 319' ' ' ASN . 0.9 OUTLIER -112.37 106.55 15.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 3.77 110.952 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 307' ' ' TRP . . . . . 0.615 ' CZ2' ' CG ' ' A' ' 279' ' ' PRO . 26.2 m0 -95.99 169.9 9.66 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.973 -1.121 . . . . 3.7400000000000002 107.973 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.849 HD23 ' CD1' ' A' ' 299' ' ' PHE . 2.2 tm? -149.97 129.39 12.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 1.8700000000000001 109.353 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 309' ' ' LYS . . . . . 0.455 ' HG2' HG22 ' A' ' 316' ' ' THR . 4.7 tmtt? -139.19 128.18 23.69 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 3.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . 0.648 HG22 ' H ' ' A' ' 311' ' ' SER . 5.3 p -153.98 176.56 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 2.6200000000000001 109.271 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . 0.648 ' H ' HG22 ' A' ' 310' ' ' VAL . 46.8 t 35.97 -153.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 4.4000000000000004 110.005 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 312' ' ' GLU . . . . . 0.537 ' O ' ' C ' ' A' ' 313' ' ' ARG . 5.3 pt-20 -90.95 13.93 15.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 6.3200000000000003 110.249 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 313' ' ' ARG . . . . . 0.537 ' C ' ' O ' ' A' ' 312' ' ' GLU . 0.1 OUTLIER -27.56 120.53 0.25 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 4.9800000000000004 110.284 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 2.47 6.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.452 1.764 . . . . 3.04 110.969 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -162.11 160.44 27.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 3.5099999999999998 109.309 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . 0.455 HG22 ' HG2' ' A' ' 309' ' ' LYS . 7.1 p -107.41 151.57 25.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 1.5700000000000001 110.438 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 22.8 t -83.69 160.34 21.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 2.6200000000000001 110.03 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 318' ' ' VAL . . . . . 0.404 HG12 ' CE1' ' A' ' 305' ' ' PHE . 5.6 t -131.48 79.14 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 2.96 109.305 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . 0.537 ' ND2' ' CD2' ' A' ' 306' ' ' PHE . 4.4 p-10 -111.49 -176.89 3.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 5.0099999999999998 109.27 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.06 160.21 24.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 2.0600000000000001 109.27 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 321' ' ' ILE . . . . . 0.505 HG22 ' N ' ' A' ' 322' ' ' SER . 1.9 mp -59.44 -81.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 1.4199999999999999 109.307 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 322' ' ' SER . . . . . 0.505 ' N ' HG22 ' A' ' 321' ' ' ILE . 9.4 p -41.86 -34.92 0.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 2.02 109.952 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 323' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 322' ' ' SER . 0.1 OUTLIER -37.28 -46.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 1.3600000000000001 110.02 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 1.9 mp -107.43 -66.75 1.0 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.433 1.083 . . . . 1.77 109.283 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 325' ' ' TRP . . . . . 0.802 ' HB3' HD23 ' A' ' 328' ' ' LEU . 0.9 OUTLIER -52.13 144.57 20.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 1.74 108.057 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -88.65 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.518 1.799 . . . . 1.1000000000000001 110.954 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 327' ' ' THR . . . . . 0.782 ' O ' HD22 ' A' ' 328' ' ' LEU . 3.3 t -101.2 95.3 6.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.168 . . . . 1.6399999999999999 110.412 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.803 HD21 ' HG3' ' A' ' 360' ' ' PRO . 3.6 mm? -141.46 144.08 32.39 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 1.8200000000000001 109.3 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 329' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 328' ' ' LEU . 18.2 Cg_endo -75.04 162.65 36.69 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.592 1.838 . . . . 1.8100000000000001 111.044 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 3.2 p -102.42 144.49 30.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.624 1.203 . . . . 3.0600000000000001 109.979 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 73.55 60.69 3.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.457 1.098 . . . . 1.23 111.054 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.533 HD13 HD22 ' A' ' 346' ' ' LEU . 25.8 mt -53.25 139.2 11.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 1.73 109.306 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -82.3 -51.56 7.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.073 . . . . 2.54 110.286 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -144.73 115.32 7.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.80000000000000004 109.297 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -104.25 124.42 49.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 1.03 109.328 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 336' ' ' TYR . . . . . 0.63 ' CZ ' ' CB ' ' A' ' 345' ' ' PHE . 23.4 p90 -136.76 -179.81 5.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.441 1.088 . . . . 4.4900000000000002 110.982 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.75 152.92 47.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 3.8500000000000001 110.275 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . 0.701 HD12 ' CE1' ' A' ' 345' ' ' PHE . 98.1 mt -112.32 88.49 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 4.6799999999999997 109.307 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.17 66.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 3.6400000000000001 110.355 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 338' ' ' ILE . . . -139.42 -68.37 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 2.29 109.31 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -110.4 16.3 21.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 3.3999999999999999 110.291 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 4.3 t30 59.91 80.57 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 2.4199999999999999 109.298 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -131.82 174.65 9.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 3.7599999999999998 110.301 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 344' ' ' VAL . . . . . 0.471 ' O ' ' CD1' ' A' ' 345' ' ' PHE . 74.3 t -139.56 154.73 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 1.24 109.313 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 345' ' ' PHE . . . . . 0.701 ' CE1' HD12 ' A' ' 338' ' ' ILE . 52.8 m-85 -153.26 140.84 19.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 2.8700000000000001 110.945 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 0.533 HD22 HD13 ' A' ' 332' ' ' ILE . 9.1 mt -133.08 109.06 9.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 2.8799999999999999 109.279 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 347' ' ' PHE . . . . . 0.515 ' CE2' ' CE1' ' A' ' 336' ' ' TYR . 13.4 m-85 -80.71 145.97 31.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 2.3799999999999999 110.979 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 348' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.0 OUTLIER -163.51 121.31 1.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.421 1.076 . . . . 3.1699999999999999 109.29 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.8 t0 55.15 -151.84 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 3.1200000000000001 109.298 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 350' ' ' ASP . . . . . 0.437 ' O ' ' CG ' ' A' ' 350' ' ' ASP . 2.1 p-10 -86.09 41.77 0.94 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.461 1.101 . . . . 2.7000000000000002 109.312 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 19.7 mtmt -155.37 150.09 26.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 1.5900000000000001 109.285 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 352' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 366' ' ' LYS . 51.0 p90 -145.5 125.65 13.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.401 1.063 . . . . 2.75 110.988 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -90.45 155.75 18.7 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.941 -1.133 . . . . 4.0199999999999996 107.941 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 354' ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' ' 355' ' ' ILE . 0.1 OUTLIER -117.9 126.66 52.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 1.79 109.244 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.456 ' N ' HD12 ' A' ' 354' ' ' LEU . 1.2 mp -96.44 98.9 8.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 1.52 109.294 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 45.6 t -100.71 118.82 37.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 1.8799999999999999 110.03 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 60.29 45.97 10.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.097 . . . . 3.6600000000000001 109.247 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.66 33.76 23.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 2.9100000000000001 109.267 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.81 116.57 5.32 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 4.6900000000000004 110.278 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 360' ' ' PRO . . . . . 0.803 ' HG3' HD21 ' A' ' 328' ' ' LEU . 18.4 Cg_endo -74.94 108.06 2.63 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.433 1.754 . . . . 1.9299999999999999 111.084 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 361' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 360' ' ' PRO . 21.6 mm-40 -38.36 123.01 1.11 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 2.4199999999999999 110.377 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 135.38 19.05 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.532 1.806 . . . . 2.0499999999999998 111.022 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 363' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 64.67 60.76 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 3.9700000000000002 109.319 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 364' ' ' TYR . . . . . 0.564 ' CD2' ' HD2' ' A' ' 366' ' ' LYS . 0.1 OUTLIER -134.46 59.05 33.85 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 3.0099999999999998 111.045 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . 0.488 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -75.06 51.96 2.95 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.516 1.798 . . . . 1.3400000000000001 110.996 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 366' ' ' LYS . . . . . 0.567 ' HB3' ' CE1' ' A' ' 352' ' ' TYR . 0.1 OUTLIER -57.28 158.3 5.56 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 1.6000000000000001 109.31 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 2.0 m -135.96 130.68 34.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 1.75 110.0 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . 0.688 ' CD1' HG21 ' A' ' 377' ' ' VAL . 43.9 pt -54.16 -32.57 23.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.407 1.067 . . . . 1.6599999999999999 109.273 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -33.26 74.67 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.535 1.147 . . . . 2.75 109.542 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 370' ' ' SER . . . . . 0.505 ' O ' ' CG ' ' A' ' 371' ' ' PHE . 0.1 OUTLIER -56.43 -17.27 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 2.3399999999999999 109.987 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 371' ' ' PHE . . . . . 0.505 ' CG ' ' O ' ' A' ' 370' ' ' SER . 88.5 m-85 -162.91 53.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 7.0499999999999998 110.959 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . -151.38 -59.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.517 1.136 . . . . 3.02 111.049 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 373' ' ' PHE . . . . . 0.44 ' N ' ' HD3' ' A' ' 374' ' ' PRO . 2.1 t80 49.4 61.48 13.82 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.496 0.762 . . . . 7.2199999999999998 110.927 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 374' ' ' PRO . . . . . 0.44 ' HD3' ' N ' ' A' ' 373' ' ' PHE . 18.0 Cg_endo -74.96 -163.14 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.485 1.782 . . . . 2.23 111.055 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -85.2 -45.74 11.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 6.4000000000000004 109.298 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -168.99 83.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 4.6799999999999997 111.03 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 377' ' ' VAL . . . . . 0.688 HG21 ' CD1' ' A' ' 368' ' ' ILE . 7.1 p -94.61 168.4 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 2.4399999999999999 109.287 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 378' ' ' LYS . . . . . 0.454 ' HG2' ' N ' ' A' ' 379' ' ' LYS . 0.0 OUTLIER -178.22 -35.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.148 . . . . 6.1399999999999997 109.362 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . 0.454 ' N ' ' HG2' ' A' ' 378' ' ' LYS . 0.0 OUTLIER -159.01 134.36 8.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 2.04 109.372 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 17.6 mt -91.71 139.51 17.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 1.1399999999999999 109.273 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.74 -53.32 6.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 2.04 109.315 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 382' ' ' ALA . . . . . 0.768 ' HB1' HG22 ' A' ' 432' ' ' VAL . . . -159.2 166.88 30.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.80000000000000004 109.312 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -156.26 125.46 6.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.85999999999999999 109.319 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . 0.68 ' HB ' HG23 ' A' ' 432' ' ' VAL . 12.1 p -126.94 154.29 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 2.1699999999999999 109.339 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -114.39 117.9 32.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 2.7000000000000002 110.936 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -97.49 117.6 65.26 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 3.1499999999999999 109.304 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.12 -20.39 16.68 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.5 1.79 . . . . 2.2000000000000002 110.953 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -38.17 36.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.472 1.108 . . . . 3.04 110.292 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.08 -6.53 28.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.068 . . . . 3.1600000000000001 110.936 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 47.61 43.0 15.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 4.9299999999999997 110.993 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 391' ' ' ARG . . . . . 0.461 ' CZ ' ' OD1' ' A' ' 404' ' ' ASP . 12.4 mtt180 -144.79 154.31 42.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 3.0299999999999998 110.322 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 86.0 m -110.12 118.61 36.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 1.24 110.397 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -83.33 123.76 29.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 2.7200000000000002 111.056 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -110.11 133.71 52.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 2.29 111.026 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . 0.711 ' HE2' HG21 ' A' ' 432' ' ' VAL . 65.7 m-85 -114.36 129.7 56.66 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.56 1.163 . . . . 1.1699999999999999 111.073 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 96.5 t -118.32 87.74 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 1.72 109.314 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.84 -70.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 4.4400000000000004 109.29 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -148.53 58.29 1.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 3.7400000000000002 109.262 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -144.46 157.29 44.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 3.6200000000000001 110.304 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 400' ' ' TYR . . . . . 0.416 ' O ' ' CG ' ' A' ' 400' ' ' TYR . 21.7 t80 -122.87 87.31 2.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 2.2599999999999998 111.036 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' TRP . . . . . 0.573 ' CH2' ' O ' ' A' ' 411' ' ' ASP . 0.0 OUTLIER -82.76 166.91 18.66 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.996 -1.113 . . . . 6.1600000000000001 107.996 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -155.22 110.21 3.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.403 1.064 . . . . 2.6699999999999999 110.33 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 403' ' ' TYR . . . . . 0.535 ' CE1' ' O ' ' A' ' 404' ' ' ASP . 3.4 t80 -100.51 142.66 31.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 6.2999999999999998 111.018 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . 0.535 ' O ' ' CE1' ' A' ' 403' ' ' TYR . 0.7 OUTLIER -78.99 120.51 23.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 1.76 109.288 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -97.26 -44.12 7.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 3.0600000000000001 110.267 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.36 8.68 12.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 6.3099999999999996 110.287 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 407' ' ' ARG . . . . . 0.432 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.6 OUTLIER -131.13 -44.69 1.03 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.447 1.092 . . . . 5.2400000000000002 110.288 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . 0.432 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 0.9 OUTLIER 80.93 54.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 3.6200000000000001 110.321 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -152.65 98.28 2.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 3.1400000000000001 110.994 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.68 126.27 26.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 2.3500000000000001 111.003 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . 0.573 ' O ' ' CH2' ' A' ' 401' ' ' TRP . 1.5 m-20 -54.38 131.55 62.19 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 2.5899999999999999 109.33 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 117.02 4.77 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 2.3199999999999998 111.071 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 45.92 94.94 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.474 1.109 . . . . 1.99 110.995 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 414' ' ' TYR . . . . . 0.543 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 2.0 t80 -132.33 62.56 63.94 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.78 . . . . 1.8300000000000001 110.981 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 415' ' ' PRO . . . . . 0.429 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.4 Cg_endo -74.99 72.74 4.54 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.526 1.803 . . . . 2.0 111.0 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . 0.543 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 3.3 mmtt -90.02 -171.46 3.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 2.9500000000000002 109.289 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 1.3 mt -138.2 144.96 40.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 2.6899999999999999 109.326 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.57 HG12 ' CD1' ' A' ' 395' ' ' PHE . 2.4 mp -69.15 -67.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 1.1699999999999999 109.282 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 7.4 t -42.0 -33.18 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 1.29 110.383 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -70.01 -69.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 2.0299999999999998 109.277 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -44.86 -43.81 9.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 2.2200000000000002 109.399 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 422' ' ' PHE . . . . . 0.488 ' CB ' HD13 ' A' ' 425' ' ' ILE . 51.8 m-85 -132.9 112.69 12.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 2.3500000000000001 110.973 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -86.82 121.23 29.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 2.2599999999999998 110.339 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . 0.59 ' HA3' HD12 ' A' ' 458' ' ' ILE . . . 133.97 -29.71 3.05 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.476 1.11 . . . . 1.5900000000000001 111.019 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 425' ' ' ILE . . . . . 0.488 HD13 ' CB ' ' A' ' 422' ' ' PHE . 3.8 mp -73.37 -76.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 2.6099999999999999 109.344 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 151.74 162.7 10.96 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.586 1.179 . . . . 0.88 111.004 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -15.06 20.92 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.447 1.762 . . . . 1.1699999999999999 110.96 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.485 ' O ' ' CG ' ' A' ' 444' ' ' GLN . 8.3 mttt -131.79 132.63 43.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 2.71 109.33 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 429' ' ' ILE . . . . . 0.587 HD11 ' CD1' ' A' ' 442' ' ' PHE . 1.0 OUTLIER -121.21 159.42 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 1.54 109.326 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -107.38 -63.34 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 2.2599999999999998 109.315 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -141.54 146.49 36.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.82999999999999996 109.342 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.768 HG22 ' HB1' ' A' ' 382' ' ' ALA . 10.9 m -137.71 145.41 29.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 2.8399999999999999 109.335 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' PHE . . . . . 0.566 ' CZ ' ' CB ' ' A' ' 441' ' ' TYR . 6.0 p90 -155.09 176.76 12.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 2.75 111.068 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -146.09 88.45 1.81 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.528 1.143 . . . . 3.7000000000000002 111.053 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . 0.62 ' CB ' HG21 ' A' ' 293' ' ' THR . 0.1 OUTLIER -114.52 -12.78 12.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 2.8500000000000001 109.976 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' LYS . . . . . 0.506 ' HE2' ' CE1' ' A' ' 441' ' ' TYR . 28.5 mmmt -69.33 -166.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.556 1.16 . . . . 4.1100000000000003 109.297 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -96.5 -38.87 9.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 3.4500000000000002 109.221 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.64 50.42 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 3.0899999999999999 109.277 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -145.99 161.7 39.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 2.4700000000000002 110.99 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -124.7 105.86 9.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 3.1000000000000001 110.97 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' TYR . . . . . 0.566 ' CB ' ' CZ ' ' A' ' 433' ' ' PHE . 3.2 m-30 -86.43 102.56 14.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 3.21 110.995 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . 0.671 ' HD1' HG12 ' A' ' 432' ' ' VAL . 35.9 m-85 -98.13 144.98 27.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 3.3199999999999998 111.007 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' PHE . . . . . 0.635 ' CE2' ' NE2' ' A' ' 448' ' ' GLN . 2.7 m-85 -120.88 118.92 31.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 3.9399999999999999 110.959 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . 0.485 ' CG ' ' O ' ' A' ' 428' ' ' LYS . 3.9 tm0? -133.02 77.22 1.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 3.5800000000000001 110.274 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 100.31 -106.79 3.2 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.406 1.067 . . . . 1.6899999999999999 111.004 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 27.1 p -127.7 31.57 5.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 0.735 . . . . 2.4199999999999999 110.019 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -142.42 130.44 21.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 2.4500000000000002 109.336 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' GLN . . . . . 0.635 ' NE2' ' CE2' ' A' ' 443' ' ' PHE . 44.8 tt0 -111.52 117.31 32.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 2.4700000000000002 110.3 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' PHE . . . . . 0.501 ' CD1' HG22 ' A' ' 461' ' ' THR . 55.6 m-85 -105.02 142.91 33.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 2.8999999999999999 111.035 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -110.25 126.96 54.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 3.9300000000000002 110.316 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -108.22 121.52 45.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.386 1.054 . . . . 3.3999999999999999 110.962 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -111.59 126.46 55.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 3.0099999999999998 109.225 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -70.58 -11.72 61.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 3.2200000000000002 110.959 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 14.7 tp -43.71 -38.46 3.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 2.5 109.284 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -167.43 31.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 2.1800000000000002 109.293 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 41.25 68.04 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 2.8799999999999999 110.306 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -142.51 132.58 24.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.537 1.148 . . . . 3.5499999999999998 110.307 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' ILE . . . . . 0.59 HD12 ' HA3' ' A' ' 424' ' ' GLY . 88.2 mt -94.65 82.87 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.411 1.07 . . . . 1.9199999999999999 109.275 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 10.2 t -102.22 36.01 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 4.3200000000000003 110.476 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.61 109.95 3.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.152 . . . . 3.6099999999999999 109.326 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . 0.501 HG22 ' CD1' ' A' ' 449' ' ' PHE . 7.5 p -124.93 109.59 13.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 2.23 110.454 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' LEU . . . . . 0.885 HD12 ' HB3' ' A' ' 466' ' ' SER . 1.4 pt? -131.77 155.85 47.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 2.46 109.376 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -93.29 156.54 16.75 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.461 1.1 . . . . 2.5800000000000001 109.259 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . 0.449 ' HB2' ' CE1' ' A' ' 443' ' ' PHE . 1.9 t -48.74 -28.01 3.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 1.96 109.949 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -100.25 58.85 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 3.52 109.299 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . 0.885 ' HB3' HD12 ' A' ' 462' ' ' LEU . 11.4 t -113.56 -21.88 10.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 2.6400000000000001 110.056 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -138.96 -59.87 0.59 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.552 1.158 . . . . 5.0800000000000001 108.006 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 468' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -52.26 -61.41 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.603 1.19 . . . . 10.31 110.984 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -84.98 -82.1 1.06 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.544 1.152 . . . . 4.5300000000000002 110.995 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 470' ' ' CYS . . . . . 1.055 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 40.9 m . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 108.289 -1.004 . . . . 5.9199999999999999 108.289 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 471' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 277' ' ' MET . . . . . 0.559 ' HB3' ' CD2' ' A' ' 305' ' ' PHE . 15.1 tpt . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.541 0.21 . . . . 8.0099999999999998 111.012 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -106.52 106.34 57.3 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 6.3200000000000003 110.309 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 279' ' ' PRO . . . . . 0.615 ' O ' ' HB2' ' A' ' 280' ' ' ALA . 18.3 Cg_endo -74.98 -76.33 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 3.6699999999999999 111.005 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 280' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 279' ' ' PRO . . . 168.65 119.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 3.3799999999999999 109.358 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 281' ' ' LEU . . . . . . . . . . . . . 7.8 mt -101.73 77.43 1.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 2.5099999999999998 109.247 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 282' ' ' CYS . . . . . 1.069 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 0.1 OUTLIER 174.94 -76.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 3.6299999999999999 108.33 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -58.94 142.37 85.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 2.7999999999999998 109.315 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.14 78.37 2.95 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.478 1.778 . . . . 1.9099999999999999 110.975 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -154.18 34.35 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 2.8100000000000001 109.313 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 286' ' ' LEU . . . . . 0.581 ' CD2' ' CZ ' ' A' ' 288' ' ' PHE . 6.4 tt -104.27 143.68 32.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 2.7000000000000002 109.314 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 73.6 p -142.34 157.05 45.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.4299999999999999 109.997 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 288' ' ' PHE . . . . . 0.581 ' CZ ' ' CD2' ' A' ' 286' ' ' LEU . 81.9 m-85 -127.02 151.88 48.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 2.5099999999999998 110.996 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 289' ' ' ASP . . . . . 0.734 ' O ' 'CA ' ' A' ' 471' ' ' ' CA' . 5.7 m-20 -87.72 -50.23 6.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 2.4199999999999999 109.274 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . 0.675 ' HB2' ' O ' ' A' ' 332' ' ' ILE . . . -142.27 169.21 18.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.77000000000000002 109.295 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 291' ' ' VAL . . . . . 0.474 HG13 ' O ' ' A' ' 290' ' ' ALA . 6.6 m -153.41 139.46 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 1.96 109.304 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 22.9 m -138.72 144.16 39.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 2.4399999999999999 110.425 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 14.8 t -106.87 146.74 30.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 2.1099999999999999 110.444 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 92.6 t -136.39 112.26 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 2.1699999999999999 109.218 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 55.6 -94.2 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.446 1.091 . . . . 1.73 110.993 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -128.82 29.27 5.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 0.774 . . . . 3.46 109.326 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.467 ' HA ' HG21 ' A' ' 310' ' ' VAL . 3.0 mppt? -129.74 169.28 15.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 2.8100000000000001 109.341 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 298' ' ' ILE . . . . . 0.875 ' H ' HG11 ' A' ' 310' ' ' VAL . 1.6 pt -132.01 167.9 25.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.582 1.176 . . . . 2.3300000000000001 109.293 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -145.7 133.65 21.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 2.3599999999999999 111.002 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 300' ' ' PHE . . . . . 0.479 ' HB3' ' CE1' ' A' ' 288' ' ' PHE . 57.7 m-85 -112.14 113.9 26.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 2.3900000000000001 110.986 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -84.97 132.79 34.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.46 1.1 . . . . 2.29 111.043 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 302' ' ' LYS . . . . . 0.495 ' HG3' ' CE3' ' A' ' 307' ' ' TRP . 1.8 mmmm -131.47 72.99 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 5.2999999999999998 109.261 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 42.7 t0 67.41 -68.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 3.1499999999999999 109.303 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 304' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 302' ' ' LYS . 0.0 OUTLIER -133.08 -32.92 1.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 4.0999999999999996 110.293 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . 0.559 ' CD2' ' HB3' ' A' ' 277' ' ' MET . 56.5 m-85 -86.62 145.2 26.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 2.5 111.007 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 306' ' ' PHE . . . . . 0.56 ' CZ ' ' HB2' ' A' ' 319' ' ' ASN . 30.5 p90 -124.93 141.47 52.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 1.8899999999999999 110.951 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 307' ' ' TRP . . . . . 0.495 ' CE3' ' HG3' ' A' ' 302' ' ' LYS . 1.3 m-90 -97.9 142.64 29.39 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.981 -1.118 . . . . 4.5999999999999996 107.981 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.472 HD22 ' HA ' ' A' ' 308' ' ' LEU . 0.2 OUTLIER -125.11 116.59 22.3 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.507 1.129 . . . . 1.8500000000000001 109.272 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 309' ' ' LYS . . . . . 0.608 ' CB ' HG22 ' A' ' 316' ' ' THR . 0.4 OUTLIER -171.47 102.21 0.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.395 1.059 . . . . 3.23 109.281 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . 0.875 HG11 ' H ' ' A' ' 298' ' ' ILE . 5.5 p -172.43 163.5 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 124.437 1.086 . . . . 2.0899999999999999 109.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . 0.472 ' N ' HG22 ' A' ' 310' ' ' VAL . 24.5 t 68.71 -74.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.138 . . . . 3.7999999999999998 110.027 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -157.55 78.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 5.0999999999999996 110.305 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.43 134.58 23.43 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.632 1.207 . . . . 4.7400000000000002 110.304 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -38.79 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.559 1.82 . . . . 2.23 110.995 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.01 159.15 44.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 4.0499999999999998 109.308 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . 0.608 HG22 ' CB ' ' A' ' 309' ' ' LYS . 80.7 p -79.52 128.77 33.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 1.2 110.456 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.81 170.97 15.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 1.8999999999999999 110.02 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 318' ' ' VAL . . . . . 0.59 ' O ' HG12 ' A' ' 318' ' ' VAL . 19.4 t -145.59 79.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 1.96 109.384 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 306' ' ' PHE . 2.9 m120 -110.17 176.56 5.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 1.9199999999999999 109.321 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.84 120.23 40.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 2.0499999999999998 109.303 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 321' ' ' ILE . . . . . 0.613 HD12 ' HB3' ' A' ' 330' ' ' SER . 71.9 mt -42.12 -59.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 1.5800000000000001 109.268 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.24 -42.46 9.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.16 . . . . 2.8700000000000001 109.984 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.88 -31.6 50.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 1.73 110.026 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 321' ' ' ILE . 0.4 OUTLIER -94.61 -83.94 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 2.8100000000000001 109.263 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 325' ' ' TRP . . . . . 0.612 ' CE3' HD12 ' A' ' 328' ' ' LEU . 0.1 OUTLIER -49.2 148.61 4.21 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 107.994 -1.113 . . . . 2.0600000000000001 107.994 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 326' ' ' PRO . . . . . 0.441 ' HG2' ' CG ' ' A' ' 360' ' ' PRO . 18.4 Cg_endo -75.02 -90.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.519 1.8 . . . . 0.94999999999999996 111.002 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 327' ' ' THR . . . . . . . . . . . . . 12.7 t -92.04 -0.28 57.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 1.8300000000000001 110.343 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 1.137 HD21 HD11 ' A' ' 355' ' ' ILE . 0.2 OUTLIER -62.78 132.19 94.65 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 2.1899999999999999 109.249 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 329' ' ' PRO . . . . . 0.966 ' HD2' HD13 ' A' ' 328' ' ' LEU . 18.2 Cg_endo -75.03 -173.23 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.508 1.794 . . . . 3.25 110.999 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 330' ' ' SER . . . . . 0.613 ' HB3' HD12 ' A' ' 321' ' ' ILE . 1.5 m -140.54 172.17 13.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 3.6200000000000001 110.013 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 51.3 51.04 38.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.507 1.13 . . . . 2.1099999999999999 110.98 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.675 ' O ' ' HB2' ' A' ' 290' ' ' ALA . 2.4 mp -67.52 156.41 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 0.736 . . . . 1.8600000000000001 109.301 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -84.86 -50.28 7.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 2.7999999999999998 110.312 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 334' ' ' ALA . . . . . 0.739 ' HB1' ' HB3' ' A' ' 383' ' ' ALA . . . -139.08 122.25 16.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 1.3400000000000001 109.282 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -138.01 144.06 40.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 1.3300000000000001 109.358 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 336' ' ' TYR . . . . . 0.982 ' OH ' HD11 ' A' ' 338' ' ' ILE . 3.1 p90 -155.41 133.09 11.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 2.8900000000000001 110.982 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.05 144.34 29.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 4.0 110.219 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . 0.982 HD11 ' OH ' ' A' ' 336' ' ' TYR . 95.4 mt -116.37 88.52 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.569 1.168 . . . . 3.5600000000000001 109.252 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.98 86.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 3.5899999999999999 110.279 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -159.28 -52.0 0.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.421 1.076 . . . . 1.8999999999999999 109.262 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -116.93 8.77 13.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 7.1600000000000001 110.309 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 64.6 t30 57.48 68.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 2.5899999999999999 109.373 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -145.09 151.56 38.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 3.0800000000000001 110.295 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 344' ' ' VAL . . . . . 0.632 HG12 ' CD2' ' A' ' 346' ' ' LEU . 20.0 t -102.77 149.95 6.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.111 . . . . 1.3100000000000001 109.319 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 345' ' ' PHE . . . . . 0.926 ' CE1' HD12 ' A' ' 338' ' ' ILE . 79.8 m-85 -136.05 128.04 29.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 4.1200000000000001 111.071 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 0.831 HD11 HD11 ' A' ' 328' ' ' LEU . 0.2 OUTLIER -154.55 133.04 12.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 2.2599999999999998 109.287 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 347' ' ' PHE . . . . . 0.595 ' N ' ' CD1' ' A' ' 347' ' ' PHE . 0.3 OUTLIER -135.04 60.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 4.2699999999999996 111.08 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 348' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 350' ' ' ASP . 0.2 OUTLIER -50.17 150.47 2.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 2.8100000000000001 109.221 -179.873 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 378' ' ' LYS . 1.2 m-20 44.56 -95.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 4.2000000000000002 109.371 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 350' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 348' ' ' LYS . 2.9 p30 -141.59 15.82 2.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 3.4100000000000001 109.323 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -120.78 138.18 54.15 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 2.3700000000000001 109.311 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 352' ' ' TYR . . . . . 0.55 ' CB ' ' CD2' ' A' ' 347' ' ' PHE . 43.4 p90 -138.0 157.95 45.32 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.538 1.148 . . . . 3.3300000000000001 110.989 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 353' ' ' TRP . . . . . 0.505 ' CH2' ' HG3' ' A' ' 329' ' ' PRO . 5.6 m-90 -127.55 165.59 19.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 4.8099999999999996 108.052 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 354' ' ' LEU . . . . . 0.571 HD11 ' OG ' ' A' ' 356' ' ' SER . 0.1 OUTLIER -124.05 118.39 26.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 2.4100000000000001 109.355 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 1.137 HD11 HD21 ' A' ' 328' ' ' LEU . 1.9 mp -98.77 105.34 17.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 1.5700000000000001 109.261 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 356' ' ' SER . . . . . 0.571 ' OG ' HD11 ' A' ' 354' ' ' LEU . 0.7 OUTLIER -114.89 117.21 30.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.57 1.169 . . . . 2.3900000000000001 109.95 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 357' ' ' ASN . . . . . 0.413 ' O ' HD23 ' A' ' 358' ' ' LEU . 28.4 t30 71.08 50.97 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 4.1500000000000004 109.302 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . 0.413 HD23 ' O ' ' A' ' 357' ' ' ASN . 0.3 OUTLIER 51.23 23.44 1.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 3.1299999999999999 109.332 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 359' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 356' ' ' SER . 0.1 OUTLIER -139.17 133.0 15.97 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 4.8300000000000001 110.345 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 360' ' ' PRO . . . . . 0.595 ' HB3' HD23 ' A' ' 328' ' ' LEU . 18.3 Cg_endo -75.03 176.54 9.79 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.541 1.811 . . . . 1.6499999999999999 110.944 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 361' ' ' GLU . . . . . 0.597 ' OE1' ' CE1' ' A' ' 364' ' ' TYR . 0.7 OUTLIER -80.54 152.74 73.12 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.541 1.151 . . . . 3.1200000000000001 110.342 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 362' ' ' PRO . . . . . 0.451 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.1 Cg_endo -74.97 70.01 5.38 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.481 1.78 . . . . 2.0299999999999998 110.958 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 363' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 0.7 OUTLIER 78.68 91.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 4.5800000000000001 109.267 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 364' ' ' TYR . . . . . 0.597 ' CE1' ' OE1' ' A' ' 361' ' ' GLU . 0.1 OUTLIER -125.28 67.89 56.89 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 3.0699999999999998 110.969 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . 0.439 ' HD3' ' C ' ' A' ' 363' ' ' ASN . 17.9 Cg_endo -75.04 56.41 4.27 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.562 1.822 . . . . 1.6299999999999999 110.938 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 366' ' ' LYS . . . . . 0.575 ' HE3' ' CD1' ' A' ' 364' ' ' TYR . 18.3 mmtt -79.84 170.66 16.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 3.2599999999999998 109.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 367' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 350' ' ' ASP . 0.5 OUTLIER -139.43 133.57 31.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 2.6800000000000002 110.005 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 42.5 pt -54.02 -20.41 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 1.6299999999999999 109.274 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 369' ' ' HIS . . . . . 0.484 ' C ' ' CD2' ' A' ' 369' ' ' HIS . 0.4 OUTLIER -60.92 -14.59 23.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 3.6699999999999999 109.553 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 45.4 m -63.0 -14.36 46.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 2.54 110.034 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 175.08 66.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 6.2999999999999998 110.985 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 372' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 374' ' ' PRO . . . -178.47 -60.77 0.07 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.547 1.154 . . . . 2.7999999999999998 110.988 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 373' ' ' PHE . . . . . 0.592 ' CZ ' ' HA ' ' A' ' 375' ' ' ASN . 25.7 t80 -35.17 95.79 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.449 0.735 . . . . 5.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 374' ' ' PRO . . . . . 0.532 ' O ' ' CB ' ' A' ' 375' ' ' ASN . 18.3 Cg_endo -75.03 8.96 2.19 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.517 1.799 . . . . 2.3500000000000001 111.01 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 375' ' ' ASN . . . . . 0.592 ' HA ' ' CZ ' ' A' ' 373' ' ' PHE . 9.3 t30 84.1 29.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 6.8099999999999996 109.372 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -151.94 -59.92 0.16 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 5.3200000000000003 111.031 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 377' ' ' VAL . . . . . 0.52 HG12 ' N ' ' A' ' 378' ' ' LYS . 84.3 t -49.68 166.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 2.6600000000000001 109.34 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 378' ' ' LYS . . . . . 0.52 ' N ' HG12 ' A' ' 377' ' ' VAL . 0.0 OUTLIER -175.22 -39.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 3.6400000000000001 109.246 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.44 124.56 32.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 2.5499999999999998 109.304 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . 0.479 HG22 ' N ' ' A' ' 381' ' ' ASP . 7.7 mt -93.09 165.48 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 1.0700000000000001 109.36 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 381' ' ' ASP . . . . . 0.479 ' N ' HG22 ' A' ' 380' ' ' ILE . 1.5 m-20 -109.4 -44.01 3.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 2.27 109.285 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 382' ' ' ALA . . . . . 0.688 ' HB1' HG12 ' A' ' 432' ' ' VAL . . . -156.52 163.82 38.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 1.0600000000000001 109.354 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 383' ' ' ALA . . . . . 0.739 ' HB3' ' HB1' ' A' ' 334' ' ' ALA . . . -161.65 121.75 2.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.84999999999999998 109.266 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . 0.745 ' CG2' HG13 ' A' ' 432' ' ' VAL . 20.0 t -133.13 151.56 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 2.2200000000000002 109.265 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 385' ' ' PHE . . . . . 0.503 ' HB2' ' CE2' ' A' ' 336' ' ' TYR . 31.7 t80 -98.7 149.55 22.71 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.503 1.127 . . . . 1.76 110.96 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -130.26 103.6 16.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 2.1600000000000001 109.332 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -17.31 19.73 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.782 . . . . 1.8899999999999999 111.03 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -80.3 -22.81 41.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 2.0299999999999998 110.32 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -121.05 5.23 10.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 3.3100000000000001 111.036 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 46.78 37.84 5.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.168 . . . . 2.6299999999999999 111.061 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -144.14 164.46 30.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 3.3500000000000001 110.341 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 392' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 384' ' ' VAL . 13.9 m -125.89 130.07 50.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.90000000000000002 110.415 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -79.96 137.06 36.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 2.1299999999999999 110.994 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 394' ' ' PHE . . . . . 0.438 ' CD2' ' CD1' ' A' ' 403' ' ' TYR . 2.7 m-85 -120.25 100.64 7.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 2.0600000000000001 110.971 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -82.93 113.74 20.74 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.485 1.116 . . . . 1.3 110.996 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 45.1 t -138.21 125.89 29.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.165 . . . . 1.48 109.32 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 4.6 t0 51.08 -152.67 0.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 3.6800000000000002 109.286 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -87.39 50.93 2.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 3.1899999999999999 109.237 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 399' ' ' GLN . . . . . 0.648 ' O ' HD11 ' A' ' 418' ' ' ILE . 8.1 mp0 -147.09 159.55 43.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 3.0299999999999998 110.309 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 400' ' ' TYR . . . . . 0.567 ' CD1' ' C ' ' A' ' 400' ' ' TYR . 0.1 OUTLIER -117.41 94.98 4.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 2.75 110.93 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' TRP . . . . . 0.447 ' CZ3' ' HB2' ' A' ' 399' ' ' GLN . 0.6 OUTLIER -92.2 156.84 17.05 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.928 -1.138 . . . . 5.8700000000000001 107.928 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -153.4 128.35 9.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 3.0499999999999998 110.305 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 403' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 410' ' ' MET . 5.2 m-85 -103.46 170.63 7.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 7.1699999999999999 110.993 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -113.65 126.3 55.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 1.71 109.27 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -82.39 -46.9 12.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 2.8199999999999998 110.312 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -63.4 -63.9 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 6.7999999999999998 110.349 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -57.96 -38.56 76.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 2.9399999999999999 110.291 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 70.26 46.71 0.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 2.77 110.285 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 8.0 tpt -152.46 114.89 4.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 2.8700000000000001 111.018 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 410' ' ' MET . . . . . 0.56 ' HB3' ' CE2' ' A' ' 403' ' ' TYR . 0.0 OUTLIER -52.39 126.24 18.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 2.4900000000000002 111.004 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -42.6 133.29 2.84 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 2.8199999999999998 109.296 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 105.82 2.16 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.519 1.799 . . . . 2.5099999999999998 110.999 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 55.44 97.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.452 1.095 . . . . 2.1099999999999999 110.999 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 414' ' ' TYR . . . . . 0.461 ' N ' ' HD3' ' A' ' 415' ' ' PRO . 1.7 t80 -137.92 60.72 25.05 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 1.8200000000000001 111.015 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 415' ' ' PRO . . . . . 0.461 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.2 Cg_endo -75.02 65.58 6.08 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 1.47 110.988 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -89.54 -178.89 5.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 2.6499999999999999 109.316 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . 0.497 HD23 HG22 ' A' ' 419' ' ' THR . 0.0 OUTLIER -126.58 139.47 53.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 2.0099999999999998 109.277 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.648 HD11 ' O ' ' A' ' 399' ' ' GLN . 3.7 mt -70.21 -71.56 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 1.04 109.298 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . 0.497 HG22 HD23 ' A' ' 417' ' ' LEU . 6.3 t -40.66 -29.39 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.142 . . . . 1.3 110.454 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 418' ' ' ILE . 15.1 mttt -68.5 -69.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.6699999999999999 109.345 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -46.79 -53.19 12.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 2.3799999999999999 109.298 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 422' ' ' PHE . . . . . 0.663 ' O ' HD11 ' A' ' 425' ' ' ILE . 22.1 m-85 -122.44 111.0 16.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 3.0299999999999998 111.006 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.97 69.96 1.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 3.1000000000000001 110.309 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . 0.631 ' H ' HD13 ' A' ' 425' ' ' ILE . . . -161.41 25.23 0.25 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.462 1.101 . . . . 2.1299999999999999 111.033 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 425' ' ' ILE . . . . . 0.785 HD13 ' N ' ' A' ' 425' ' ' ILE . 0.2 OUTLIER -147.99 -47.88 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 124.455 0.738 . . . . 2.1099999999999999 109.308 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 426' ' ' GLY . . . . . 0.411 ' N ' HG12 ' A' ' 425' ' ' ILE . . . 128.82 176.09 14.3 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.496 1.122 . . . . 0.87 111.012 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -24.91 12.27 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.541 1.811 . . . . 1.29 111.012 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.475 ' C ' HD12 ' A' ' 429' ' ' ILE . 1.5 mmmm -127.08 138.27 53.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 2.3500000000000001 109.315 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 429' ' ' ILE . . . . . 0.549 HD11 HG12 ' A' ' 425' ' ' ILE . 3.4 mp -133.88 129.37 54.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 2.9100000000000001 109.304 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 443' ' ' PHE . 0.9 OUTLIER -54.31 -63.56 1.11 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 2.0699999999999998 109.318 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -160.34 168.33 25.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 1.26 109.302 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.745 HG13 ' CG2' ' A' ' 384' ' ' VAL . 3.2 p -157.77 148.1 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 2.0899999999999999 109.282 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' PHE . . . . . 0.452 ' N ' ' CD1' ' A' ' 433' ' ' PHE . 3.5 p90 -145.41 163.93 33.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 2.7200000000000002 111.031 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -110.78 83.53 1.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 2.9500000000000002 110.937 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 4.8 t -104.77 -23.14 13.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 2.5600000000000001 110.023 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 436' ' ' LYS . . . . . 0.554 ' HD3' ' CE1' ' A' ' 441' ' ' TYR . 0.0 OUTLIER -67.93 -168.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 5.9800000000000004 109.367 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -100.39 -21.76 15.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 5.0300000000000002 109.266 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.22 51.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 3.6200000000000001 109.254 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 452' ' ' ASP . 8.5 m-85 -142.4 166.27 25.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 3.0 110.994 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' TYR . . . . . 0.526 ' HB3' ' CE2' ' A' ' 442' ' ' PHE . 12.5 m-85 -125.83 104.99 8.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 3.1899999999999999 111.032 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' TYR . . . . . 0.562 ' CE1' ' CG ' ' A' ' 450' ' ' GLU . 2.8 m-85 -91.19 96.62 10.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 2.7599999999999998 110.977 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . 0.6 ' CD2' HG21 ' A' ' 425' ' ' ILE . 70.4 m-85 -96.21 145.77 25.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 3.1699999999999999 111.026 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' PHE . . . . . 0.559 ' CZ ' ' CD ' ' A' ' 448' ' ' GLN . 0.3 OUTLIER -116.07 115.67 26.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 3.5800000000000001 110.971 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -114.68 78.69 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 4.0300000000000002 110.25 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 92.61 -86.76 1.21 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.123 . . . . 2.1899999999999999 111.047 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 12.9 m -141.7 38.33 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 2.8599999999999999 109.97 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -144.31 140.58 29.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 2.2000000000000002 109.275 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 448' ' ' GLN . . . . . 0.559 ' CD ' ' CZ ' ' A' ' 443' ' ' PHE . 4.0 tt0 -113.04 110.49 20.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 3.1299999999999999 110.28 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -91.91 139.91 30.2 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.605 1.191 . . . . 2.3700000000000001 110.974 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 0.562 ' CG ' ' CE1' ' A' ' 441' ' ' TYR . 0.7 OUTLIER -104.48 76.17 1.28 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.49 1.119 . . . . 4.7199999999999998 110.275 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -85.09 107.48 17.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.601 1.188 . . . . 3.0499999999999998 110.997 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' ASP . . . . . 0.562 ' HB2' ' CE1' ' A' ' 439' ' ' TYR . 40.3 t0 -100.83 155.21 18.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 3.79 109.296 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 454' ' ' LEU . 47.0 t80 -84.32 -10.71 57.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 3.0299999999999998 111.02 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 453' ' ' PHE . 14.8 tp -40.12 -44.76 1.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 2.4900000000000002 109.267 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -168.72 32.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 1.95 109.275 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 45.57 66.33 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 2.7799999999999998 110.303 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.7 140.04 29.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 3.27 110.277 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 4.6 mt -83.84 115.96 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 2.1800000000000002 109.269 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 10.0 p -88.43 -47.51 8.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 3.0699999999999998 110.363 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -128.11 165.1 21.03 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.111 . . . . 3.6699999999999999 109.292 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 13.6 m -153.99 116.33 4.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 2.4199999999999999 110.396 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 462' ' ' LEU . . . . . 0.797 HD22 ' HB2' ' A' ' 466' ' ' SER . 11.9 mt -86.49 178.89 6.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 3.6699999999999999 109.353 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.35 58.66 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 6.1699999999999999 109.309 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . 0.406 ' O ' ' CG ' ' A' ' 465' ' ' ASN . 0.2 OUTLIER 42.51 31.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 3.1299999999999999 110.005 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 464' ' ' SER . 31.6 m-80 -173.59 44.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 2.6400000000000001 109.286 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . 0.797 ' HB2' HD22 ' A' ' 462' ' ' LEU . 1.2 p -64.38 -35.2 80.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 3.8500000000000001 109.999 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 467' ' ' TRP . . . . . 0.452 ' O ' ' C ' ' A' ' 468' ' ' PHE . 0.3 OUTLIER -165.31 -43.12 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.983 -1.117 . . . . 7.1399999999999997 107.983 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 468' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' A' ' 467' ' ' TRP . 15.4 m-85 -33.58 -56.2 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 8.75 110.982 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -112.82 -84.56 1.36 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.52 1.138 . . . . 4.0199999999999996 110.975 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 470' ' ' CYS . . . . . 1.069 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 1.4 m . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 108.276 -1.009 . . . . 3.4500000000000002 108.276 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 471' ' ' ' CA' . . . . . 0.734 'CA ' ' O ' ' A' ' 289' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 277' ' ' MET . . . . . 0.448 ' O ' ' CG ' ' A' ' 278' ' ' GLU . 3.1 mpp? . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 120.45 0.167 . . . . 6.9800000000000004 111.025 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 277' ' ' MET . 12.4 pt-20 43.98 64.58 6.84 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 7.9900000000000002 110.313 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 279' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 280' ' ' ALA . 18.4 Cg_endo -75.01 175.31 11.41 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 4.4900000000000002 111.017 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 280' ' ' ALA . . . . . 0.6 ' HB3' ' HB2' ' A' ' 283' ' ' ASP . . . -36.26 -34.75 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 5.2699999999999996 109.322 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 281' ' ' LEU . . . . . 0.65 ' CD2' ' CD1' ' A' ' 468' ' ' PHE . 1.3 mt 75.74 1.76 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 3.25 109.288 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 282' ' ' CYS . . . . . . . . . . . . . 42.3 t -157.14 51.01 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 3.4300000000000002 108.3 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 283' ' ' ASP . . . . . 0.6 ' HB2' ' HB3' ' A' ' 280' ' ' ALA . 0.7 OUTLIER -146.93 145.25 21.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 4.4800000000000004 109.276 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 68.68 5.77 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.542 1.812 . . . . 3.0699999999999998 110.92 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 285' ' ' ASN . . . . . 0.407 ' OD1' ' HB3' ' A' ' 283' ' ' ASP . 0.3 OUTLIER -169.59 40.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 3.52 109.379 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 286' ' ' LEU . . . . . 0.688 HD23 ' H ' ' A' ' 287' ' ' SER . 0.4 OUTLIER -111.81 154.59 24.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 2.7999999999999998 109.284 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 287' ' ' SER . . . . . 0.688 ' H ' HD23 ' A' ' 286' ' ' LEU . 57.4 p -142.62 176.84 8.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 2.3500000000000001 109.984 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -144.26 178.27 8.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 2.5800000000000001 111.024 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.54 -48.87 1.16 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 2.6000000000000001 109.31 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -147.89 141.08 25.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.93999999999999995 109.345 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 291' ' ' VAL . . . . . . . . . . . . . 1.3 m -140.6 131.42 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 2.27 109.333 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 14.2 t -143.69 163.13 34.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 1.53 110.385 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 2.6 t -116.42 161.58 18.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 2.2400000000000002 110.377 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 79.4 t -135.5 77.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.6799999999999999 109.247 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 74.06 -88.07 0.67 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.548 1.155 . . . . 1.97 111.006 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -115.82 -5.99 12.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 0.787 . . . . 4.4199999999999999 109.276 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.456 ' HA ' HG23 ' A' ' 310' ' ' VAL . 2.8 mtmm -99.83 161.03 13.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 2.54 109.296 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 298' ' ' ILE . . . . . 0.448 ' C ' ' CD1' ' A' ' 299' ' ' PHE . 1.4 pt -139.37 144.48 28.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 2.3500000000000001 109.264 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 299' ' ' PHE . . . . . 0.586 ' CE2' HD21 ' A' ' 308' ' ' LEU . 9.8 m-85 -138.77 167.81 21.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 2.5699999999999998 110.988 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 300' ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' A' ' 300' ' ' PHE . 0.1 OUTLIER -153.11 125.24 7.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 3.3100000000000001 111.022 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 301' ' ' PHE . . . . . 0.67 ' CD1' HD13 ' A' ' 332' ' ' ILE . 97.7 m-85 -104.68 146.28 29.16 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.531 1.144 . . . . 2.1000000000000001 110.97 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.15 -53.86 2.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 3.73 109.333 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 303' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 331' ' ' GLY . 12.6 t0 -169.82 -61.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 3.96 109.247 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 304' ' ' ARG . . . . . 0.571 ' HG2' ' CD2' ' A' ' 305' ' ' PHE . 0.0 OUTLIER -118.17 -22.76 7.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.439 1.087 . . . . 4.2999999999999998 110.242 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . 0.571 ' CD2' ' HG2' ' A' ' 304' ' ' ARG . 79.6 m-85 -103.45 155.53 18.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 3.1400000000000001 110.998 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 306' ' ' PHE . . . . . 0.538 ' CZ ' ' HB2' ' A' ' 319' ' ' ASN . 6.5 p90 -116.01 150.39 37.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 2.4100000000000001 110.945 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 307' ' ' TRP . . . . . 0.579 ' CH2' HD11 ' A' ' 281' ' ' LEU . 48.5 m95 -114.75 144.82 42.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 5.6600000000000001 108.008 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.586 HD21 ' CE2' ' A' ' 299' ' ' PHE . 0.2 OUTLIER -132.46 112.67 12.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.419 1.074 . . . . 1.98 109.292 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 309' ' ' LYS . . . . . 0.457 ' CD ' HG22 ' A' ' 316' ' ' THR . 1.4 tptt -148.52 102.41 3.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 2.3700000000000001 109.244 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . 0.649 HG13 ' H ' ' A' ' 312' ' ' GLU . 2.2 p -110.7 177.02 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 2.8700000000000001 109.347 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . 0.581 ' H ' HG22 ' A' ' 310' ' ' VAL . 0.3 OUTLIER -84.93 29.55 0.63 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.534 1.146 . . . . 6.9500000000000002 109.965 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 312' ' ' GLU . . . . . 0.649 ' H ' HG13 ' A' ' 310' ' ' VAL . 11.4 tt0 -149.33 23.36 0.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.094 . . . . 6.3799999999999999 110.31 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -120.88 134.1 24.25 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.125 . . . . 4.3099999999999996 110.292 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -24.95 12.34 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.525 1.802 . . . . 2.6899999999999999 110.935 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -150.65 160.07 44.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 3.1600000000000001 109.355 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . 0.561 HG21 ' CD1' ' A' ' 468' ' ' PHE . 73.4 p -95.95 123.13 39.42 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.535 1.147 . . . . 1.8700000000000001 110.431 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . 0.448 ' O ' ' CE3' ' A' ' 307' ' ' TRP . 0.6 OUTLIER -87.46 168.02 13.47 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 2.2999999999999998 110.012 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 318' ' ' VAL . . . . . 0.561 ' HB ' ' CZ3' ' A' ' 307' ' ' TRP . 6.2 p -153.36 121.94 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 2.6499999999999999 109.303 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . 0.538 ' HB2' ' CZ ' ' A' ' 306' ' ' PHE . 0.9 OUTLIER -143.64 175.83 9.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.404 1.065 . . . . 2.6200000000000001 109.213 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 10.1 tp -81.86 154.78 25.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 2.3900000000000001 109.296 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 321' ' ' ILE . . . . . . . . . . . . . 37.5 mt -68.17 -70.1 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 1.49 109.258 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 3.7 t -42.93 -32.41 0.63 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.476 1.11 . . . . 2.8500000000000001 110.003 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 323' ' ' SER . . . . . 0.556 ' HB3' HD12 ' A' ' 324' ' ' LEU . 0.1 OUTLIER -42.35 -36.59 1.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 1.5600000000000001 109.965 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . 0.556 HD12 ' HB3' ' A' ' 323' ' ' SER . 5.2 mp -116.19 -58.98 2.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 2.48 109.318 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 325' ' ' TRP . . . . . 0.407 ' HB3' HD23 ' A' ' 328' ' ' LEU . 1.4 m-90 -58.22 152.03 44.06 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 3.0499999999999998 108.0 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -56.69 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.494 1.787 . . . . 1.78 110.978 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 327' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 327' ' ' THR . 3.1 t -153.94 104.01 2.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 2.6200000000000001 110.409 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.567 HD13 ' HD2' ' A' ' 329' ' ' PRO . 0.2 OUTLIER -99.8 167.72 10.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 2.3799999999999999 109.315 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 329' ' ' PRO . . . . . 0.567 ' HD2' HD13 ' A' ' 328' ' ' LEU . 18.3 Cg_endo -74.99 -16.42 20.24 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.515 1.797 . . . . 4.1799999999999997 111.024 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 53.0 p 58.68 111.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 3.5699999999999998 110.001 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 303' ' ' ASP . . . 104.02 41.56 2.09 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.493 1.12 . . . . 1.46 111.013 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.68 HG21 HD12 ' A' ' 346' ' ' LEU . 3.0 mt -49.25 102.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 0.785 . . . . 2.0899999999999999 109.382 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -79.73 -35.48 38.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 2.9700000000000002 110.305 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 334' ' ' ALA . . . . . 0.606 ' HB3' ' HB2' ' A' ' 347' ' ' PHE . . . -142.96 122.26 13.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.93000000000000005 109.249 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -109.44 115.43 29.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 1.05 109.287 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 336' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -108.63 158.94 17.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 4.0 111.048 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -155.59 142.74 19.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 3.4100000000000001 110.269 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . . . . . . . . . 2.7 tp -140.64 121.36 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 3.46 109.238 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.18 -41.38 49.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 3.6699999999999999 110.299 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -40.94 -57.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 1.8400000000000001 109.292 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -85.82 -19.07 31.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 3.4500000000000002 110.286 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 4.7 t30 62.66 52.54 2.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 2.23 109.291 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . 0.665 ' NE2' HD21 ' A' ' 354' ' ' LEU . 36.1 mt-30 -125.35 178.51 5.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 2.5 110.328 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 344' ' ' VAL . . . . . 0.417 HG12 ' CD2' ' A' ' 346' ' ' LEU . 40.6 t -137.51 135.06 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 1.1899999999999999 109.274 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 345' ' ' PHE . . . . . 0.792 ' C ' HD22 ' A' ' 346' ' ' LEU . 17.0 m-85 -130.34 129.81 43.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 2.6099999999999999 110.965 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 0.792 HD22 ' C ' ' A' ' 345' ' ' PHE . 2.9 mm? -124.01 103.0 8.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 1.8300000000000001 109.346 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 347' ' ' PHE . . . . . 0.606 ' HB2' ' HB3' ' A' ' 334' ' ' ALA . 91.5 m-85 -83.62 142.21 30.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 2.6200000000000001 110.959 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 348' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 351' ' ' LYS . 11.7 tmtt? -164.71 125.85 2.1 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.44 1.087 . . . . 2.9399999999999999 109.331 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 50.32 -150.5 0.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 3.0099999999999998 109.346 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 350' ' ' ASP . . . . . 0.435 ' OD1' ' ND1' ' A' ' 369' ' ' HIS . 44.8 t0 -88.26 44.11 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 2.8900000000000001 109.253 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 348' ' ' LYS . 18.5 mttt -155.25 149.73 26.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 2.0499999999999998 109.32 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 352' ' ' TYR . . . . . 0.562 ' C ' ' CD1' ' A' ' 352' ' ' TYR . 0.0 OUTLIER -143.79 127.09 16.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 4.8600000000000003 111.042 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 353' ' ' TRP . . . . . 0.442 ' CH2' HG23 ' A' ' 327' ' ' THR . 21.4 m95 -95.83 146.88 24.2 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.989 -1.115 . . . . 5.6299999999999999 107.989 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 354' ' ' LEU . . . . . 0.665 HD21 ' NE2' ' A' ' 343' ' ' GLN . 1.7 tm? -108.94 113.01 25.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 3.1099999999999999 109.297 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.694 ' N ' HD12 ' A' ' 355' ' ' ILE . 2.1 mp -93.39 92.75 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 1.79 109.25 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 356' ' ' SER . . . . . 0.43 ' HB2' HD11 ' A' ' 354' ' ' LEU . 1.4 t -96.12 122.29 38.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 1.5800000000000001 110.022 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 357' ' ' ASN . . . . . 0.665 ' O ' HD23 ' A' ' 358' ' ' LEU . 45.6 m-20 59.48 47.62 10.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 2.6800000000000002 109.356 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . 0.665 HD23 ' O ' ' A' ' 357' ' ' ASN . 0.3 OUTLIER 55.14 37.02 28.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 2.9100000000000001 109.205 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.82 115.47 3.23 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.14 . . . . 4.4199999999999999 110.295 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 360' ' ' PRO . . . . . 0.457 ' HA ' ' O ' ' A' ' 354' ' ' LEU . 18.3 Cg_endo -74.93 110.35 3.1 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.444 1.76 . . . . 2.3999999999999999 110.971 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -39.04 128.29 1.23 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 3.9900000000000002 110.376 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 362' ' ' PRO . . . . . 0.428 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.3 Cg_endo -75.03 122.5 7.23 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.475 1.776 . . . . 3.1499999999999999 110.98 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 363' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 4.8 t-20 77.99 54.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.157 . . . . 3.3700000000000001 109.343 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 364' ' ' TYR . . . . . 0.552 ' CD2' ' HD2' ' A' ' 366' ' ' LYS . 0.8 OUTLIER -136.52 60.09 29.42 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 2.9500000000000002 110.993 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . 0.483 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -75.04 53.31 3.31 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.501 1.79 . . . . 1.9299999999999999 110.984 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 366' ' ' LYS . . . . . 0.559 ' HB3' ' CD2' ' A' ' 352' ' ' TYR . 0.3 OUTLIER -62.29 169.51 2.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 2.0699999999999998 109.298 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 367' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 370' ' ' SER . 3.7 m -153.05 144.03 22.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 3.2799999999999998 110.019 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . 0.493 HD13 HD11 ' A' ' 380' ' ' ILE . 1.0 OUTLIER -67.77 -20.02 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 2.29 109.252 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 369' ' ' HIS . . . . . 0.435 ' ND1' ' OD1' ' A' ' 350' ' ' ASP . 0.9 OUTLIER -69.7 -19.15 63.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 3.98 109.661 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 370' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 367' ' ' SER . 0.2 OUTLIER -70.39 -7.06 40.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.404 1.065 . . . . 2.54 110.054 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 371' ' ' PHE . . . . . 0.482 ' CD2' ' O ' ' A' ' 371' ' ' PHE . 36.9 p90 -170.84 57.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 7.0700000000000003 111.017 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 372' ' ' GLY . . . . . 0.593 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -171.18 -50.64 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.557 1.161 . . . . 3.04 110.933 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 373' ' ' PHE . . . . . 0.593 ' C ' ' O ' ' A' ' 372' ' ' GLY . 22.3 t80 -19.56 92.09 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 5.1699999999999999 110.951 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 374' ' ' PRO . . . . . 0.468 ' N ' ' O ' ' A' ' 372' ' ' GLY . 18.1 Cg_endo -74.98 -55.47 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 2.4900000000000002 111.044 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -134.62 -55.84 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.583 1.177 . . . . 4.8600000000000003 109.3 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -160.44 33.0 0.16 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 7.0300000000000002 110.977 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 377' ' ' VAL . . . . . 0.437 HG12 ' HD2' ' A' ' 374' ' ' PRO . 0.3 OUTLIER -73.43 141.74 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 2.2999999999999998 109.218 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.84 29.75 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 2.8700000000000001 109.343 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -170.91 122.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 3.1099999999999999 109.308 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . 0.493 HD11 HD13 ' A' ' 368' ' ' ILE . 10.0 mt -99.49 144.29 12.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 1.02 109.342 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.58 -47.04 11.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 2.2000000000000002 109.359 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 382' ' ' ALA . . . . . 0.746 ' HB1' HG12 ' A' ' 432' ' ' VAL . . . -157.76 169.34 24.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.85999999999999999 109.292 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -153.36 118.02 4.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.68999999999999995 109.303 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . 0.53 HG22 ' H ' ' A' ' 385' ' ' PHE . 9.6 p -134.2 171.28 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 2.0800000000000001 109.299 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 385' ' ' PHE . . . . . 0.53 ' H ' HG22 ' A' ' 384' ' ' VAL . 22.8 t80 -135.74 148.29 48.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 1.99 110.984 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.5 125.75 29.14 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 2.2999999999999998 109.283 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 387' ' ' PRO . . . . . 0.485 ' O ' ' CE1' ' A' ' 390' ' ' TYR . 18.1 Cg_endo -75.06 -30.54 6.97 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.568 1.825 . . . . 1.74 111.045 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 388' ' ' ARG . . . . . 0.46 ' O ' ' CE2' ' A' ' 390' ' ' TYR . 12.1 mmm180 -80.34 -41.26 25.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 2.1699999999999999 110.327 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 389' ' ' PHE . . . . . 0.419 ' O ' ' CG ' ' A' ' 391' ' ' ARG . 0.2 OUTLIER -87.24 -13.38 43.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.173 . . . . 2.73 110.991 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 390' ' ' TYR . . . . . 0.485 ' CE1' ' O ' ' A' ' 387' ' ' PRO . 39.5 m-85 48.9 35.06 6.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 3.0499999999999998 111.028 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 391' ' ' ARG . . . . . 0.419 ' CG ' ' O ' ' A' ' 389' ' ' PHE . 1.4 mtt85 -135.1 145.16 47.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 4.1299999999999999 110.323 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 392' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 384' ' ' VAL . 81.1 m -98.82 112.46 24.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.81000000000000005 110.421 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -79.22 135.36 36.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 2.4300000000000002 110.988 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.6 109.57 17.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 2.6699999999999999 110.974 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . 0.428 ' HD2' ' HB3' ' A' ' 382' ' ' ALA . 22.7 m-85 -90.85 111.61 23.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.131 . . . . 1.6200000000000001 111.024 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 52.5 t -135.03 122.56 37.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.357 1.036 . . . . 1.6100000000000001 109.333 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 55.89 -151.94 0.38 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 3.96 109.238 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -89.08 48.65 1.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 3.3500000000000001 109.277 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 399' ' ' GLN . . . . . 0.551 ' O ' HD11 ' A' ' 418' ' ' ILE . 32.3 mt-30 -144.98 164.71 30.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 2.6200000000000001 110.234 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 400' ' ' TYR . . . . . 0.515 ' CD1' ' C ' ' A' ' 400' ' ' TYR . 0.1 OUTLIER -121.95 123.53 41.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 2.9700000000000002 111.0 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -117.12 163.18 16.66 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.018 -1.104 . . . . 5.21 108.018 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 402' ' ' ARG . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 402' ' ' ARG . 14.4 ttp-105 -154.58 127.73 8.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 5.4100000000000001 110.295 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -105.68 127.81 53.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 6.29 111.076 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.31 131.55 43.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 2.0299999999999998 109.31 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.18 -47.15 4.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 2.6099999999999999 110.291 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -65.0 -37.94 89.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 6.2000000000000002 110.262 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 407' ' ' ARG . . . . . 0.438 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.5 OUTLIER -87.79 -44.99 10.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 2.6099999999999999 110.269 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . 0.438 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 1.3 tt0 81.89 39.76 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 2.6099999999999999 110.325 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -145.18 104.97 4.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 2.6499999999999999 110.978 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.49 126.63 28.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 2.48 111.053 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.03 133.02 40.09 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 3.3300000000000001 109.31 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 114.26 3.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.541 1.811 . . . . 2.6099999999999999 111.003 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 53.22 102.01 0.01 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.518 1.136 . . . . 2.2000000000000002 110.97 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 414' ' ' TYR . . . . . 0.514 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 2.1 t80 -144.38 63.07 10.67 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.528 0.781 . . . . 2.4500000000000002 110.978 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 415' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -74.96 76.13 3.47 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.557 1.82 . . . . 1.46 110.994 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . 0.514 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 27.4 mmtt -94.45 -174.62 3.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.399 1.062 . . . . 2.75 109.316 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.13 135.93 53.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 2.54 109.328 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.551 HD11 ' O ' ' A' ' 399' ' ' GLN . 2.8 mt -65.78 -63.43 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 1.6799999999999999 109.358 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . 0.474 ' HB ' ' CA ' ' A' ' 427' ' ' PRO . 5.2 t -47.81 -43.92 28.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 1.53 110.368 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -61.28 -40.08 92.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 1.8500000000000001 109.342 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -69.99 -61.7 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 2.3500000000000001 109.276 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 422' ' ' PHE . . . . . 0.489 ' CB ' HD11 ' A' ' 425' ' ' ILE . 19.9 m-85 -81.3 -70.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 4.29 111.037 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 423' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 419' ' ' THR . 0.0 OUTLIER 75.89 96.72 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 2.4100000000000001 110.295 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . 0.629 ' HA3' HD11 ' A' ' 458' ' ' ILE . . . 151.96 -29.47 0.91 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.156 . . . . 1.6399999999999999 111.011 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 425' ' ' ILE . . . . . 0.6 ' H ' HD13 ' A' ' 425' ' ' ILE . 0.2 OUTLIER -100.31 -24.92 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 2.1600000000000001 109.281 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 107.94 159.39 20.4 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.53 1.144 . . . . 1.29 110.974 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . 0.474 ' CA ' ' HB ' ' A' ' 419' ' ' THR . 18.3 Cg_endo -75.02 -3.98 14.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.567 1.825 . . . . 2.1499999999999999 111.024 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.3 133.27 54.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.604 1.19 . . . . 2.4399999999999999 109.326 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 429' ' ' ILE . . . . . 0.442 HD13 ' HD2' ' A' ' 442' ' ' PHE . 7.1 tp -143.87 134.66 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 1.9099999999999999 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . 0.744 ' O ' 'CA ' ' A' ' 471' ' ' ' CA' . 61.1 t0 -103.49 -56.63 2.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.436 1.085 . . . . 3.98 109.279 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -134.73 150.31 50.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.174 . . . . 0.81999999999999995 109.352 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.746 HG12 ' HB1' ' A' ' 382' ' ' ALA . 9.3 p -156.65 136.71 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 1.8899999999999999 109.289 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 433' ' ' PHE . . . . . 0.409 ' CE1' ' HB2' ' A' ' 441' ' ' TYR . 7.5 p90 -141.3 135.07 30.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 2.7400000000000002 111.04 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -88.8 101.84 14.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 3.0800000000000001 111.037 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . 0.401 ' HB3' ' CD2' ' A' ' 433' ' ' PHE . 0.9 OUTLIER -151.29 97.61 2.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 3.1000000000000001 110.008 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 436' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 176.53 -163.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 3.96 109.262 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -83.32 -37.95 22.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 5.6500000000000004 109.345 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . 0.54 ' O ' ' CD1' ' A' ' 439' ' ' TYR . 0.0 OUTLIER -178.54 62.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 3.25 109.273 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 439' ' ' TYR . . . . . 0.54 ' CD1' ' O ' ' A' ' 438' ' ' LYS . 49.7 m-85 -154.3 172.12 18.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 2.6099999999999999 111.042 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -135.96 140.17 43.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 3.2000000000000002 110.982 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 441' ' ' TYR . . . . . 0.704 ' O ' HG23 ' A' ' 432' ' ' VAL . 5.9 m-85 -105.09 127.82 53.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 2.3300000000000001 110.976 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . 0.442 ' HD2' HD13 ' A' ' 429' ' ' ILE . 22.5 m-85 -122.4 141.33 51.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 3.3700000000000001 111.05 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 443' ' ' PHE . . . . . 0.537 ' C ' ' CD1' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -150.49 146.3 26.53 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.495 1.122 . . . . 5.46 111.03 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -159.28 67.45 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 3.9100000000000001 110.277 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 148.14 -90.37 0.14 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.566 1.166 . . . . 2.1699999999999999 110.973 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 4.5 p -150.66 36.1 0.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.408 0.71 . . . . 2.3700000000000001 109.963 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -146.56 142.18 27.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 3.6699999999999999 109.335 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 448' ' ' GLN . . . . . 0.572 ' HB3' HD21 ' A' ' 462' ' ' LEU . 6.3 mt-30 -123.72 90.22 3.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 3.9500000000000002 110.294 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -82.98 159.95 22.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 2.4300000000000002 110.982 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -124.84 129.98 51.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 3.7999999999999998 110.35 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -105.98 144.01 33.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 3.75 111.054 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -124.66 112.14 16.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 3.1800000000000002 109.271 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -61.42 -12.91 16.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 3.0 111.017 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . 0.451 HD23 ' CD2' ' A' ' 455' ' ' LEU . 16.0 tp -57.0 -32.64 66.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 2.4399999999999999 109.296 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.463 ' CD1' ' HD3' ' A' ' 457' ' ' ARG . 1.0 OUTLIER -177.03 44.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 2.0699999999999998 109.311 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . 0.419 ' NE2' ' O ' ' A' ' 455' ' ' LEU . 3.3 pm0 38.47 45.74 0.88 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.573 1.171 . . . . 4.7599999999999998 110.328 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 457' ' ' ARG . . . . . 0.463 ' HD3' ' CD1' ' A' ' 455' ' ' LEU . 0.5 OUTLIER -93.03 167.99 11.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 3.0 110.349 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 458' ' ' ILE . . . . . 0.629 HD11 ' HA3' ' A' ' 424' ' ' GLY . 2.5 mp -143.17 79.83 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 2.1699999999999999 109.311 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 1.8 t -102.23 43.31 1.08 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 2.7400000000000002 110.409 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.69 100.74 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 3.3199999999999998 109.297 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 5.3 p -121.76 112.35 18.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 2.48 110.384 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 462' ' ' LEU . . . . . 0.656 HD12 ' CB ' ' A' ' 466' ' ' SER . 0.8 OUTLIER -140.39 170.39 15.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.449 1.093 . . . . 2.5299999999999998 109.328 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.0 168.03 10.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 2.5499999999999998 109.293 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 1.3 t -51.07 -35.18 33.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.8100000000000001 110.008 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -99.82 65.97 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 3.71 109.313 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . 0.656 ' CB ' HD12 ' A' ' 462' ' ' LEU . 30.4 t -114.23 -19.83 11.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 2.5299999999999998 109.986 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 467' ' ' TRP . . . . . 0.424 ' O ' ' N ' ' A' ' 469' ' ' GLY . 0.6 OUTLIER -104.77 -56.15 2.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.603 1.189 . . . . 4.2999999999999998 107.989 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 468' ' ' PHE . . . . . 0.65 ' CD1' ' CD2' ' A' ' 281' ' ' LEU . 74.9 m-85 -39.34 -29.61 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.132 . . . . 6.3399999999999999 110.94 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 467' ' ' TRP . . . 101.8 56.61 0.85 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.537 1.148 . . . . 2.1800000000000002 110.978 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 N-CA-C 108.364 -0.976 . . . . 3.4700000000000002 108.364 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 471' ' ' ' CA' . . . . . 0.744 'CA ' ' O ' ' A' ' 430' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 277' ' ' MET . . . . . 0.559 ' HB3' ' CE2' ' A' ' 305' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.513 0.197 . . . . 10.140000000000001 111.01 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -136.37 66.83 59.68 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 6.6900000000000004 110.34 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 279' ' ' PRO . . . . . 0.675 ' O ' ' HB2' ' A' ' 280' ' ' ALA . 18.2 Cg_endo -75.04 -75.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.47 1.774 . . . . 4.3700000000000001 111.017 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 280' ' ' ALA . . . . . 0.675 ' HB2' ' O ' ' A' ' 279' ' ' PRO . . . 162.87 -33.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.419 1.074 . . . . 4.79 109.33 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 281' ' ' LEU . . . . . 0.459 HD22 ' CD1' ' A' ' 468' ' ' PHE . 1.3 mt 62.04 20.64 11.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 2.4399999999999999 109.339 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 282' ' ' CYS . . . . . 1.155 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 1.8 t -130.95 17.31 5.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.423 1.077 . . . . 2.8700000000000001 108.317 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 283' ' ' ASP . . . . . 0.432 ' O ' ' ND2' ' A' ' 465' ' ' ASN . 1.0 OUTLIER -157.79 152.45 20.83 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 3.5899999999999999 109.34 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 59.3 5.12 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.433 1.754 . . . . 1.9199999999999999 110.99 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -121.39 24.43 9.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 3.8599999999999999 109.344 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 286' ' ' LEU . . . . . 0.532 HD11 ' CZ2' ' A' ' 307' ' ' TRP . 5.7 tp -110.62 150.37 29.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 2.77 109.322 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 3.7 p -145.19 167.91 21.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 1.9099999999999999 110.017 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -130.33 171.53 12.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.412 1.07 . . . . 2.02 110.994 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -115.97 -53.44 2.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 2.6200000000000001 109.265 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -150.42 150.55 31.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.162 . . . . 1.02 109.315 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 291' ' ' VAL . . . . . 0.824 HG22 ' HB1' ' A' ' 431' ' ' ALA . 3.9 m -138.03 165.99 24.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 2.0099999999999998 109.354 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 1.6 t -149.84 167.11 27.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 1.3799999999999999 110.352 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 293' ' ' THR . . . . . 0.445 ' CG2' ' HB2' ' A' ' 433' ' ' PHE . 82.6 p -120.3 118.19 29.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 3.6299999999999999 110.446 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 294' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 296' ' ' ASN . 62.0 t -122.61 114.38 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 1.74 109.329 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 54.9 -86.77 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 1.97 110.989 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 296' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 294' ' ' VAL . 6.6 p-10 -141.37 25.39 2.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 0.748 . . . . 3.8999999999999999 109.267 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.497 ' HA ' HG23 ' A' ' 310' ' ' VAL . 16.1 mtmt -125.04 164.92 19.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 2.6899999999999999 109.301 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 3.3 pt -141.23 130.3 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 2.3100000000000001 109.307 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 299' ' ' PHE . . . . . 0.429 ' O ' HG12 ' A' ' 291' ' ' VAL . 35.9 m-85 -104.42 142.83 33.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 2.2999999999999998 111.032 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 300' ' ' PHE . . . . . 0.567 ' HA ' HG12 ' A' ' 291' ' ' VAL . 14.8 m-85 -126.95 98.08 5.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.451 1.095 . . . . 2.6899999999999999 111.044 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 301' ' ' PHE . . . . . 0.411 ' HA ' ' CB ' ' A' ' 306' ' ' PHE . 15.8 m-85 -86.57 157.41 19.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 2.2400000000000002 111.042 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -162.26 74.05 0.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 2.9900000000000002 109.303 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 303' ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' A' ' 304' ' ' ARG . 1.6 m-20 49.65 88.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 3.0099999999999998 109.303 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 304' ' ' ARG . . . . . 0.47 ' HB2' ' O ' ' A' ' 303' ' ' ASP . 0.2 OUTLIER 69.15 -57.6 0.52 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 4.2599999999999998 110.285 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 277' ' ' MET . 2.8 m-85 -78.09 121.66 24.57 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.573 1.171 . . . . 3.0099999999999998 110.99 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 306' ' ' PHE . . . . . 0.564 ' CD2' ' O ' ' A' ' 319' ' ' ASN . 15.5 p90 -128.98 137.53 51.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 1.8100000000000001 111.002 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 307' ' ' TRP . . . . . 0.532 ' CZ2' HD11 ' A' ' 286' ' ' LEU . 5.0 m-90 -91.68 146.83 23.46 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.922 -1.14 . . . . 4.2999999999999998 107.922 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.471 HD13 ' N ' ' A' ' 309' ' ' LYS . 0.7 OUTLIER -123.3 120.57 33.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 1.9199999999999999 109.324 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 309' ' ' LYS . . . . . 0.471 ' N ' HD13 ' A' ' 308' ' ' LEU . 0.1 OUTLIER -146.32 114.27 6.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 2.4700000000000002 109.334 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . 0.497 HG23 ' HA ' ' A' ' 297' ' ' LYS . 0.5 OUTLIER -136.37 -179.85 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 2.8100000000000001 109.281 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . 0.477 ' H ' HG22 ' A' ' 310' ' ' VAL . 0.5 OUTLIER -60.8 138.32 58.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 6.2699999999999996 110.002 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 69.33 40.55 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 5.8399999999999999 110.266 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 313' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 315' ' ' LYS . 2.5 tpt180 -128.63 94.9 33.86 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.505 1.128 . . . . 3.7999999999999998 110.239 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 1.56 7.58 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.528 1.804 . . . . 3.4399999999999999 111.012 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 315' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 313' ' ' ARG . 13.4 tttt -159.57 160.72 34.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 4.4199999999999999 109.288 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 308' ' ' LEU . 21.5 p -115.14 151.75 33.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 1.1399999999999999 110.38 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 8.7 t -115.13 119.61 36.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 1.9299999999999999 109.983 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 318' ' ' VAL . . . . . 0.482 HG22 ' CD1' ' A' ' 307' ' ' TRP . 96.2 t -92.13 94.0 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.397 1.061 . . . . 2.2599999999999998 109.295 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . 0.564 ' O ' ' CD2' ' A' ' 306' ' ' PHE . 1.0 OUTLIER -110.29 174.52 5.83 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.522 1.139 . . . . 1.95 109.307 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.17 150.06 23.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 2.1899999999999999 109.335 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 321' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 324' ' ' LEU . 4.9 mt -65.42 -62.86 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 1.0600000000000001 109.308 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 8.2 m -46.42 -31.03 2.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 2.1699999999999999 110.005 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.55 -37.63 88.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 1.71 109.971 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 321' ' ' ILE . 14.1 tp -97.2 -73.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 3.3900000000000001 109.313 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 325' ' ' TRP . . . . . 0.667 ' HB3' HD23 ' A' ' 328' ' ' LEU . 0.2 OUTLIER -60.86 151.2 74.38 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 1.8899999999999999 107.955 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -74.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.419 1.747 . . . . 1.22 110.983 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 327' ' ' THR . . . . . 0.658 HG23 ' O ' ' A' ' 327' ' ' THR . 11.0 t -128.78 91.06 3.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 1.7 110.416 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.676 HD11 HG12 ' A' ' 355' ' ' ILE . 4.4 mm? -126.89 161.64 52.28 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 1.6000000000000001 109.345 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 329' ' ' PRO . . . . . 0.669 ' O ' HD11 ' A' ' 332' ' ' ILE . 18.4 Cg_endo -74.95 129.52 12.46 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.612 1.848 . . . . 2.0899999999999999 110.943 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 11.6 m -88.45 136.44 32.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 2.1800000000000002 109.989 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 85.01 42.92 6.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.477 1.111 . . . . 1.1899999999999999 110.993 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.669 HD11 ' O ' ' A' ' 329' ' ' PRO . 22.1 mm -48.97 134.44 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 2.2400000000000002 109.341 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -94.71 -24.85 16.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.44 1.087 . . . . 2.7200000000000002 110.332 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -167.22 130.43 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.81000000000000005 109.323 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . 0.425 ' HB2' HG21 ' A' ' 332' ' ' ILE . . . -130.23 143.54 50.84 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.523 1.139 . . . . 0.81999999999999995 109.296 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 336' ' ' TYR . . . . . 0.461 ' CE1' ' CB ' ' A' ' 345' ' ' PHE . 13.1 p90 -153.62 125.39 7.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 3.5699999999999998 111.034 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 337' ' ' GLU . . . . . 0.669 ' HG3' HG22 ' A' ' 344' ' ' VAL . 0.0 OUTLIER -109.41 167.29 10.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 4.6600000000000001 110.309 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . . . . . . . . . 6.6 tp -150.14 124.61 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 4.29 109.345 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -74.36 -33.08 62.99 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 4.1900000000000004 110.334 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -53.0 -49.36 66.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 1.5900000000000001 109.203 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -93.33 -22.65 18.83 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.557 1.161 . . . . 3.5699999999999998 110.366 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 24.5 t30 60.29 43.58 13.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.168 . . . . 1.9099999999999999 109.352 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . 0.442 ' HG2' ' CD1' ' A' ' 354' ' ' LEU . 2.4 tt0 -131.35 136.96 48.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 2.4700000000000002 110.289 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 344' ' ' VAL . . . . . 0.669 HG22 ' HG3' ' A' ' 337' ' ' GLU . 43.9 t -94.78 163.11 2.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 1.25 109.322 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 345' ' ' PHE . . . . . 0.538 ' CE2' HD13 ' A' ' 354' ' ' LEU . 82.1 m-85 -151.37 129.94 12.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 2.9500000000000002 111.024 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 0.467 HD13 ' O ' ' A' ' 345' ' ' PHE . 2.7 mm? -122.61 122.73 39.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 1.9099999999999999 109.303 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -99.88 144.58 28.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 2.4300000000000002 110.961 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 348' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.32 123.99 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 3.2799999999999998 109.311 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 4.2 t0 51.09 -151.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 3.3100000000000001 109.298 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 350' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -85.93 44.69 1.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 2.9100000000000001 109.319 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -155.26 150.01 26.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 2.8100000000000001 109.249 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 352' ' ' TYR . . . . . 0.577 ' C ' ' CD1' ' A' ' 352' ' ' TYR . 1.0 OUTLIER -125.81 154.51 42.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 4.1600000000000001 110.968 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 353' ' ' TRP . . . . . 0.695 ' NE1' ' CE1' ' A' ' 364' ' ' TYR . 6.2 m-90 -121.96 127.33 50.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 4.8499999999999996 108.0 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 354' ' ' LEU . . . . . 0.588 ' C ' HD12 ' A' ' 355' ' ' ILE . 1.9 tp -114.94 111.94 21.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 2.0499999999999998 109.236 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.676 HG12 HD11 ' A' ' 328' ' ' LEU . 1.3 mp -107.6 156.4 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 2.3700000000000001 109.315 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 27.1 t -150.3 125.46 10.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 2.1600000000000001 109.977 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 61.25 37.47 17.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 2.8599999999999999 109.287 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . 0.467 HD12 ' O ' ' A' ' 358' ' ' LEU . 0.2 OUTLIER 63.46 33.86 13.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 3.6400000000000001 109.293 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.72 135.13 17.59 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 4.0899999999999999 110.279 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 360' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 140.6 25.86 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.449 1.763 . . . . 2.2400000000000002 110.998 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.62 146.87 47.81 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 2.9100000000000001 110.253 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 3.48 5.6 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.463 1.77 . . . . 3.2200000000000002 110.976 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 363' ' ' ASN . . . . . 0.447 ' C ' ' HD2' ' A' ' 365' ' ' PRO . 0.8 OUTLIER -126.61 25.27 6.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.088 . . . . 9.8499999999999996 109.304 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 364' ' ' TYR . . . . . 0.787 ' N ' ' CD ' ' A' ' 365' ' ' PRO . 0.1 OUTLIER -76.58 -31.94 0.99 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 11.98 111.013 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . 0.787 ' CD ' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -75.08 78.79 2.84 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.424 1.749 . . . . 2.8500000000000001 110.957 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 366' ' ' LYS . . . . . 0.575 ' HB2' ' CE2' ' A' ' 352' ' ' TYR . 9.0 mttm -129.84 166.3 20.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 3.3199999999999998 109.304 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 367' ' ' SER . . . . . 0.421 ' HB3' ' ND1' ' A' ' 369' ' ' HIS . 19.4 m -106.1 117.92 35.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 2.27 109.977 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 2.4 pt -57.66 -29.93 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 1.76 109.293 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 369' ' ' HIS . . . . . 0.521 ' HB2' ' CG ' ' A' ' 373' ' ' PHE . 1.1 p-80 -52.12 -22.06 3.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 3.0499999999999998 109.552 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 5.8 t -67.0 -9.82 43.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 2.6699999999999999 110.023 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 371' ' ' PHE . . . . . 0.541 ' C ' ' CD1' ' A' ' 371' ' ' PHE . 0.1 OUTLIER -92.89 20.27 6.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 8.6600000000000001 110.97 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . 119.81 -53.36 0.68 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.436 1.085 . . . . 4.0599999999999996 111.006 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 373' ' ' PHE . . . . . 0.521 ' CG ' ' HB2' ' A' ' 369' ' ' HIS . 32.5 t80 59.14 82.14 0.24 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 0.75 . . . . 4.9800000000000004 110.991 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 374' ' ' PRO . . . . . 0.629 ' HD2' HG21 ' A' ' 377' ' ' VAL . 18.1 Cg_endo -75.09 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.498 1.788 . . . . 2.4399999999999999 110.977 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -107.68 64.6 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 5.0800000000000001 109.32 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 172.85 38.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.146 . . . . 8.4000000000000004 110.936 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 377' ' ' VAL . . . . . 0.629 HG21 ' HD2' ' A' ' 374' ' ' PRO . 64.1 t -127.75 147.46 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 2.5299999999999998 109.285 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 2.4 mtmm 174.26 -36.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 4.0300000000000002 109.24 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 10.4 pttt -158.36 135.62 10.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.441 1.088 . . . . 1.9299999999999999 109.323 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . 0.518 HG22 ' N ' ' A' ' 381' ' ' ASP . 21.5 mt -100.13 167.49 2.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.89000000000000001 109.317 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 381' ' ' ASP . . . . . 0.868 ' O ' 'CA ' ' A' ' 471' ' ' ' CA' . 1.1 t0 -108.53 -47.69 3.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.588 1.18 . . . . 2.4900000000000002 109.273 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 382' ' ' ALA . . . . . 0.687 ' HB3' ' HD2' ' A' ' 395' ' ' PHE . . . -158.38 167.94 28.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.66000000000000003 109.278 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -137.67 117.33 13.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.128 . . . . 0.91000000000000003 109.325 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . 0.58 HG11 ' CG1' ' A' ' 432' ' ' VAL . 35.1 m -123.0 130.39 74.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.148 . . . . 3.52 109.282 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -110.54 135.59 50.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 1.78 111.007 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.57 123.62 31.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.179 . . . . 2.1800000000000002 109.278 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -17.78 19.28 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.512 1.796 . . . . 1.8799999999999999 110.961 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -73.83 -31.65 63.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 2.4900000000000002 110.345 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -114.0 -4.21 13.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 2.9500000000000002 110.941 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 53.32 19.13 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 3.73 111.042 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.03 159.08 21.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 4.1399999999999997 110.285 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 43.8 m -117.96 122.79 44.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.072 . . . . 0.76000000000000001 110.403 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . 0.435 ' HB2' ' CG2' ' A' ' 384' ' ' VAL . 10.8 m-30 -87.93 134.5 33.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.385 1.053 . . . . 2.1600000000000001 111.019 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -118.42 135.02 54.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 2.1800000000000002 111.022 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . 0.687 ' HD2' ' HB3' ' A' ' 382' ' ' ALA . 17.0 m-85 -106.14 116.19 31.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 1.1899999999999999 110.999 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 396' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 398' ' ' ASN . 45.0 t -106.42 82.09 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 1.7 109.323 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 69.23 -65.32 0.3 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.549 1.155 . . . . 3.9900000000000002 109.29 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 396' ' ' VAL . 46.9 p-10 -152.87 55.82 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 3.3799999999999999 109.261 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -144.86 155.62 43.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 2.4900000000000002 110.311 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -123.15 95.89 4.78 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.572 1.17 . . . . 2.5 111.058 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -97.36 164.89 12.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 5.2400000000000002 108.002 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -149.63 117.45 6.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 2.8500000000000001 110.352 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 403' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 404' ' ' ASP . 10.1 t80 -109.32 136.07 49.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 5.0700000000000003 110.972 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . 0.596 ' O ' ' CE1' ' A' ' 403' ' ' TYR . 0.4 OUTLIER -81.81 129.13 34.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 1.8100000000000001 109.267 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -98.21 -41.79 7.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 3.7599999999999998 110.355 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? -71.31 -27.71 63.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 6.1299999999999999 110.26 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 407' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.5 OUTLIER -98.98 -43.94 6.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 2.8399999999999999 110.269 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . 0.471 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 2.2 tt0 83.75 31.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 3.0600000000000001 110.289 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 7.2 tpt -135.66 96.62 3.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.167 . . . . 2.0600000000000001 110.972 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 410' ' ' MET . . . . . 0.415 ' HB3' ' CD2' ' A' ' 403' ' ' TYR . 0.0 OUTLIER -56.67 135.36 55.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 2.1000000000000001 110.986 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.87 139.33 17.06 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 2.4300000000000002 109.33 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 108.67 2.77 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.573 1.828 . . . . 2.3599999999999999 110.982 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 51.16 102.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 1.8999999999999999 110.974 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 414' ' ' TYR . . . . . 0.576 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 2.5 t80 -135.61 63.16 52.47 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.476 0.75 . . . . 1.8200000000000001 110.995 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 415' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.4 Cg_endo -75.0 71.34 5.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.555 1.819 . . . . 1.47 111.015 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . 0.576 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 17.2 mmtt -96.35 -174.17 2.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.15 . . . . 2.3599999999999999 109.343 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.8 tp -132.92 145.22 50.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 2.3300000000000001 109.327 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.475 HG12 ' CD1' ' A' ' 395' ' ' PHE . 1.1 mp -68.62 -69.57 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.453 1.096 . . . . 1.24 109.262 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 418' ' ' ILE . 6.6 t -38.92 -31.15 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.98999999999999999 110.371 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 418' ' ' ILE . 45.1 mttt -69.42 -68.73 0.39 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 1.6299999999999999 109.266 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.66 -50.48 54.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 2.9399999999999999 109.342 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 422' ' ' PHE . . . . . 0.528 ' HB3' ' CE2' ' A' ' 451' ' ' TYR . 67.0 m-85 -121.57 103.1 8.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 2.4700000000000002 111.05 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -89.57 73.81 7.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 2.3700000000000001 110.277 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . 0.901 ' CA ' HD11 ' A' ' 458' ' ' ILE . . . -173.11 32.64 0.11 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.481 1.113 . . . . 2.6400000000000001 111.019 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 425' ' ' ILE . . . . . 0.631 HD13 ' H ' ' A' ' 426' ' ' GLY . 0.2 OUTLIER -151.27 -44.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.46 0.741 . . . . 2.2200000000000002 109.315 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 426' ' ' GLY . . . . . 0.631 ' H ' HD13 ' A' ' 425' ' ' ILE . . . 120.25 166.78 13.28 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.77000000000000002 111.026 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -11.63 21.41 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.542 1.811 . . . . 1.1100000000000001 111.026 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.54 136.69 54.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 3.3799999999999999 109.257 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 429' ' ' ILE . . . . . 0.441 HG21 ' CD2' ' A' ' 395' ' ' PHE . 7.0 tp -131.02 161.08 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 1.72 109.289 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 443' ' ' PHE . 1.0 OUTLIER -115.37 -63.84 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 2.9500000000000002 109.25 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.824 ' HB1' HG22 ' A' ' 291' ' ' VAL . . . -142.57 142.95 32.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.80000000000000004 109.349 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.743 HG13 ' O ' ' A' ' 441' ' ' TYR . 11.7 t -141.92 139.28 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 2.6099999999999999 109.242 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 433' ' ' PHE . . . . . 0.45 ' CE2' ' CE1' ' A' ' 443' ' ' PHE . 8.0 p90 -143.55 147.89 35.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 2.5099999999999998 111.024 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -98.58 88.18 4.02 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.434 1.084 . . . . 3.5600000000000001 110.995 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 10.2 p -133.04 96.31 3.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.404 1.065 . . . . 2.75 110.027 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 436' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt 174.24 -161.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 4.0499999999999998 109.238 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -93.42 -36.88 12.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 3.8700000000000001 109.364 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -174.82 57.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 3.0499999999999998 109.32 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -144.84 161.61 38.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 2.1000000000000001 110.997 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -122.69 124.03 42.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 4.5599999999999996 110.99 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 441' ' ' TYR . . . . . 0.743 ' O ' HG13 ' A' ' 432' ' ' VAL . 4.6 m-85 -98.22 133.52 42.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 2.3700000000000001 111.043 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . 0.528 ' CE2' HG21 ' A' ' 425' ' ' ILE . 82.4 m-85 -124.75 132.73 53.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 3.1600000000000001 111.067 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 443' ' ' PHE . . . . . 0.45 ' CE1' ' CE2' ' A' ' 433' ' ' PHE . 9.6 m-85 -116.39 114.44 24.29 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.132 . . . . 4.7800000000000002 110.991 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 425' ' ' ILE . 1.2 mt-30 -117.46 79.71 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 4.6399999999999997 110.32 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 96.35 -101.86 2.7 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.459 1.1 . . . . 2.73 110.963 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 79.1 p -107.09 -48.36 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.746 . . . . 3.1800000000000002 110.004 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -80.15 146.73 31.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 2.1499999999999999 109.295 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 448' ' ' GLN . . . . . 0.559 ' HG3' HD23 ' A' ' 462' ' ' LEU . 0.7 OUTLIER -132.6 127.61 35.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 3.5899999999999999 110.301 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 449' ' ' PHE . . . . . 0.573 ' HD2' HG21 ' A' ' 458' ' ' ILE . 6.1 m-85 -99.48 162.37 13.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 2.5499999999999998 111.027 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 0.564 ' HG3' ' CE1' ' A' ' 441' ' ' TYR . 1.4 tt0 -124.79 141.77 51.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 2.96 110.269 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 451' ' ' TYR . . . . . 0.528 ' CE2' ' HB3' ' A' ' 422' ' ' PHE . 0.9 OUTLIER -106.65 137.35 44.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 2.7200000000000002 110.977 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -116.25 90.43 3.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 3.7400000000000002 109.294 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -48.86 -24.44 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 3.9300000000000002 111.048 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 10.4 tp -42.28 -37.04 1.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 2.2400000000000002 109.321 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -166.29 32.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.534 1.146 . . . . 1.99 109.333 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 41.0 69.22 0.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 3.04 110.271 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.4 154.1 50.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 3.5099999999999998 110.334 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 458' ' ' ILE . . . . . 0.901 HD11 ' CA ' ' A' ' 424' ' ' GLY . 13.8 mt -117.41 102.38 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 1.6100000000000001 109.276 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 3.2 t -126.24 39.11 4.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 3.1299999999999999 110.448 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.51 102.89 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 3.2000000000000002 109.341 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 14.6 p -133.95 119.82 19.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.092 . . . . 2.1400000000000001 110.41 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 462' ' ' LEU . . . . . 0.559 HD23 ' HG3' ' A' ' 448' ' ' GLN . 0.5 OUTLIER -143.37 178.8 7.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 2.0499999999999998 109.296 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.86 164.15 12.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.495 1.122 . . . . 2.54 109.275 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 1.5 t -51.69 -47.26 63.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 2.4399999999999999 110.003 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 283' ' ' ASP . 8.8 p30 -92.1 59.98 3.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 2.5899999999999999 109.297 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . 0.483 ' HB3' HD12 ' A' ' 462' ' ' LEU . 22.4 t -109.99 -12.46 14.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 2.3199999999999998 110.025 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -107.28 -36.19 6.6 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.958 -1.127 . . . . 3.9500000000000002 107.958 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 468' ' ' PHE . . . . . 0.459 ' CD1' HD22 ' A' ' 281' ' ' LEU . 64.6 t80 -47.75 -41.79 23.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 7.2199999999999998 110.923 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 121.18 43.18 0.44 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 2.5800000000000001 111.014 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 470' ' ' CYS . . . . . 1.155 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 108.288 -1.004 . . . . 3.5299999999999998 108.288 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 471' ' ' ' CA' . . . . . 0.868 'CA ' ' O ' ' A' ' 381' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 277' ' ' MET . . . . . . . . . . . . . 32.4 mtm . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 120.525 0.202 . . . . 9.5500000000000007 111.046 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . 0.521 ' HG2' HG11 ' A' ' 318' ' ' VAL . 0.5 OUTLIER -93.37 157.39 38.76 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 8.8300000000000001 110.291 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 159.72 41.03 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.558 1.82 . . . . 3.2799999999999998 111.013 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 280' ' ' ALA . . . . . 0.563 ' HB3' ' HB2' ' A' ' 283' ' ' ASP . . . -49.74 128.92 19.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 3.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 281' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.5 24.15 4.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 3.0499999999999998 109.257 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 282' ' ' CYS . . . . . 1.073 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 1.3 t -156.89 38.86 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 3.1800000000000002 108.32 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 283' ' ' ASP . . . . . 0.563 ' HB2' ' HB3' ' A' ' 280' ' ' ALA . 15.1 m-20 -144.77 138.68 14.63 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 3.9399999999999999 109.24 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 80.63 2.39 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.422 1.749 . . . . 2.4300000000000002 110.983 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -174.43 49.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 3.0600000000000001 109.299 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.53 157.49 18.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.598 1.186 . . . . 3.46 109.32 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 37.5 p -143.8 166.33 25.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 1.6799999999999999 109.982 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -131.58 172.11 12.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 2.4900000000000002 111.021 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.36 -52.45 2.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 2.2599999999999998 109.281 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -143.79 151.13 39.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.81000000000000005 109.288 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 291' ' ' VAL . . . . . . . . . . . . . 9.0 t -140.75 140.44 33.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 2.0299999999999998 109.323 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . 0.513 ' HB ' ' HB1' ' A' ' 335' ' ' ALA . 1.8 t -144.48 168.09 20.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 1.4299999999999999 110.41 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 293' ' ' THR . . . . . 0.457 ' O ' ' CG ' ' A' ' 337' ' ' GLU . 51.8 m -123.19 148.39 45.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 2.6699999999999999 110.383 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 294' ' ' VAL . . . . . 0.497 HG13 ' O ' ' A' ' 294' ' ' VAL . 9.8 p -137.95 67.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 2.6800000000000002 109.319 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 94.4 -86.81 1.07 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.435 1.084 . . . . 2.0299999999999998 110.967 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -134.35 12.66 3.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 0.747 . . . . 3.3900000000000001 109.375 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.463 ' HB2' HG13 ' A' ' 294' ' ' VAL . 9.5 mtmt -109.25 164.89 12.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 2.4900000000000002 109.351 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 298' ' ' ILE . . . . . 0.983 HD13 ' CZ ' ' A' ' 300' ' ' PHE . 2.4 pp -135.6 150.43 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 3.2599999999999998 109.217 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 299' ' ' PHE . . . . . 0.657 ' CE2' HD23 ' A' ' 308' ' ' LEU . 24.2 m-85 -140.7 119.03 12.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 3.02 111.042 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 300' ' ' PHE . . . . . 0.983 ' CZ ' HD13 ' A' ' 298' ' ' ILE . 8.6 m-85 -106.5 108.71 20.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 2.3900000000000001 111.001 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -86.91 144.96 26.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 2.7599999999999998 111.021 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.15 -58.92 1.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 3.0899999999999999 109.315 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -166.33 -60.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 2.9399999999999999 109.271 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.44 -15.28 10.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 5.0 110.262 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -122.77 165.36 16.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 2.6400000000000001 110.986 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 306' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -134.78 154.87 51.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 1.6299999999999999 110.961 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 307' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -102.64 160.97 14.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 4.6699999999999999 108.034 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.657 HD23 ' CE2' ' A' ' 299' ' ' PHE . 2.2 tm? -146.64 74.06 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 1.79 109.28 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 309' ' ' LYS . . . . . 0.691 ' O ' HD11 ' A' ' 298' ' ' ILE . 13.4 tptp -103.36 92.12 4.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 2.8700000000000001 109.343 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . 0.507 ' O ' ' CD ' ' A' ' 313' ' ' ARG . 0.6 OUTLIER -175.65 -179.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 2.6400000000000001 109.293 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . 0.489 ' H ' HG22 ' A' ' 310' ' ' VAL . 14.2 t 40.28 90.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.579 1.174 . . . . 4.7199999999999998 110.032 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 312' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 311' ' ' SER . 0.4 OUTLIER 37.36 70.79 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 4.1799999999999997 110.283 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 313' ' ' ARG . . . . . 0.507 ' CD ' ' O ' ' A' ' 310' ' ' VAL . 0.1 OUTLIER -115.15 106.3 51.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 3.75 110.307 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -10.61 21.23 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.529 1.805 . . . . 1.8700000000000001 110.98 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -166.23 160.08 15.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 4.0099999999999998 109.289 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 24.8 p -77.19 163.94 26.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 1.1000000000000001 110.382 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 26.5 p -120.86 164.82 16.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 3.5499999999999998 109.997 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 318' ' ' VAL . . . . . 0.521 HG11 ' HG2' ' A' ' 278' ' ' GLU . 95.2 t -148.98 90.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 1.98 109.268 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -124.36 173.16 8.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 2.3100000000000001 109.307 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 1.5 tt -90.2 153.21 20.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.148 . . . . 1.78 109.287 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 321' ' ' ILE . . . . . . . . . . . . . 2.2 mp -61.07 -67.44 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 1.3 109.377 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.76 -33.33 1.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.165 . . . . 2.7799999999999998 109.989 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 3.3 t -44.08 -43.68 7.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 1.4299999999999999 109.991 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 2.2 mp -103.07 -79.05 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 1.8999999999999999 109.348 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 325' ' ' TRP . . . . . 0.804 ' HB3' HD23 ' A' ' 328' ' ' LEU . 0.4 OUTLIER -49.05 154.01 1.43 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 1.73 108.017 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -80.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.469 1.773 . . . . 1.1100000000000001 111.006 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 327' ' ' THR . . . . . 0.656 ' C ' HD22 ' A' ' 328' ' ' LEU . 5.0 t -123.7 97.73 5.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 1.45 110.436 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.804 HD23 ' HB3' ' A' ' 325' ' ' TRP . 4.0 mm? -132.82 152.69 80.31 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 1.99 109.342 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 329' ' ' PRO . . . . . 0.543 ' HG3' ' CE3' ' A' ' 353' ' ' TRP . 18.3 Cg_endo -75.0 132.22 15.17 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.513 1.796 . . . . 2.0600000000000001 111.035 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 7.3 p -97.08 150.06 21.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 2.2599999999999998 109.964 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 88.92 22.02 40.41 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.55 1.156 . . . . 1.3899999999999999 111.014 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.573 HG21 HD12 ' A' ' 346' ' ' LEU . 1.9 mt -42.31 151.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 1.46 109.318 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.37 -36.45 3.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 3.8799999999999999 110.335 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -132.6 110.32 10.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.95999999999999996 109.354 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . 0.513 ' HB1' ' HB ' ' A' ' 292' ' ' THR . . . -105.57 120.02 40.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.421 1.076 . . . . 1.02 109.356 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 336' ' ' TYR . . . . . 0.428 ' CG ' ' N ' ' A' ' 337' ' ' GLU . 41.2 t80 -116.32 162.57 17.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.466 1.103 . . . . 3.9300000000000002 111.065 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 337' ' ' GLU . . . . . 0.457 ' CG ' ' O ' ' A' ' 293' ' ' THR . 36.4 tp10 -133.09 130.02 38.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 3.8399999999999999 110.318 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . 0.684 HG23 ' O ' ' A' ' 338' ' ' ILE . 9.1 tt -97.03 84.52 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.606 1.191 . . . . 4.4000000000000004 109.341 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.53 68.91 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 3.4399999999999999 110.345 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -157.57 -52.75 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 1.96 109.251 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.63 8.42 44.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 4.9699999999999998 110.303 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 61.0 t30 55.38 68.78 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 2.1099999999999999 109.328 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . 0.471 ' HB2' ' CG2' ' A' ' 338' ' ' ILE . 34.3 mt-30 -145.08 178.96 7.67 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.458 1.099 . . . . 2.6600000000000001 110.29 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 344' ' ' VAL . . . . . . . . . . . . . 67.0 t -127.08 146.03 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 1.3799999999999999 109.262 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 345' ' ' PHE . . . . . 0.407 ' O ' HD22 ' A' ' 346' ' ' LEU . 0.9 OUTLIER -126.77 129.28 48.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 2.6299999999999999 110.999 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 0.573 HD12 HG21 ' A' ' 332' ' ' ILE . 2.3 mm? -130.64 139.47 50.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.615 1.197 . . . . 1.9099999999999999 109.287 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -117.53 149.02 41.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 2.6200000000000001 111.025 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 348' ' ' LYS . . . . . 0.507 ' O ' ' C ' ' A' ' 349' ' ' ASP . 9.4 ttpt -124.46 59.62 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 5.3700000000000001 109.282 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . 0.507 ' C ' ' O ' ' A' ' 348' ' ' LYS . 20.8 m-20 32.0 49.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 6.7999999999999998 109.254 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 350' ' ' ASP . . . . . 0.929 ' O ' HG23 ' A' ' 368' ' ' ILE . 0.5 OUTLIER 162.4 -72.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.535 1.147 . . . . 3.8199999999999998 109.309 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 366' ' ' LYS . 16.3 mttt -104.53 159.14 15.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 2.7999999999999998 109.296 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 352' ' ' TYR . . . . . 0.534 ' CD1' ' N ' ' A' ' 352' ' ' TYR . 2.1 p90 -146.36 128.02 15.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 2.8700000000000001 110.943 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 353' ' ' TRP . . . . . 0.543 ' CE3' ' HG3' ' A' ' 329' ' ' PRO . 3.1 m-90 -90.3 177.8 6.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 3.5699999999999998 108.031 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 354' ' ' LEU . . . . . 0.753 ' O ' HD23 ' A' ' 354' ' ' LEU . 0.4 OUTLIER -145.5 114.83 7.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 2.5499999999999998 109.26 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 355' ' ' ILE . 5.2 mp -87.85 101.78 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 1.6399999999999999 109.288 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 356' ' ' SER . . . . . 0.408 ' HB2' ' NE2' ' A' ' 343' ' ' GLN . 0.4 OUTLIER -98.97 118.67 36.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 1.6399999999999999 110.02 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 60.69 37.07 19.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 2.9100000000000001 109.265 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 4.3 mt 68.92 35.61 2.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 4.2400000000000002 109.282 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.3 116.62 2.97 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 4.5899999999999999 110.345 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 360' ' ' PRO . . . . . 0.467 ' HG3' HD21 ' A' ' 328' ' ' LEU . 18.2 Cg_endo -74.95 123.72 8.12 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.576 1.829 . . . . 1.27 110.969 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -52.04 129.3 39.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 3.2799999999999998 110.309 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 143.55 29.25 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.414 1.744 . . . . 2.5299999999999998 110.988 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 363' ' ' ASN . . . . . . . . . . . . . 5.3 m120 60.04 61.49 1.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 4.3700000000000001 109.294 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 364' ' ' TYR . . . . . 0.524 ' CG ' ' HE3' ' A' ' 366' ' ' LYS . 0.2 OUTLIER -132.9 60.58 50.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 3.6499999999999999 110.934 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . 0.459 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -74.95 43.98 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 1.8 110.976 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 366' ' ' LYS . . . . . 0.524 ' HE3' ' CG ' ' A' ' 364' ' ' TYR . 0.1 OUTLIER -44.8 141.1 2.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 2.71 109.295 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -127.5 126.1 41.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 2.1000000000000001 109.97 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . 0.929 HG23 ' O ' ' A' ' 350' ' ' ASP . 12.4 pt -64.62 -35.37 74.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.405 1.065 . . . . 1.79 109.32 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -33.28 75.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 2.9900000000000002 109.563 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.98 -8.65 39.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 2.6099999999999999 109.994 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -89.04 7.61 33.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 5.29 110.95 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . 124.55 -30.77 4.6 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.47 1.106 . . . . 3.7599999999999998 110.962 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 373' ' ' PHE . . . . . . . . . . . . . 69.6 t80 55.23 94.24 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.445 0.733 . . . . 5.2199999999999998 110.984 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 374' ' ' PRO . . . . . 0.561 ' HB3' ' CZ2' ' A' ' 401' ' ' TRP . 18.4 Cg_endo -75.09 -161.0 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 3.02 111.006 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 375' ' ' ASN . . . . . 0.466 ' O ' ' C ' ' A' ' 376' ' ' PHE . 83.4 m-20 -53.02 89.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 6.8300000000000001 109.26 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 376' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 374' ' ' PRO . 76.1 m-85 32.68 74.97 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 4.7999999999999998 110.96 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 377' ' ' VAL . . . . . 0.775 HG22 HG11 ' A' ' 396' ' ' VAL . 95.4 t -118.76 81.85 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 3.21 109.326 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 378' ' ' LYS . . . . . 0.584 ' HA ' HD11 ' A' ' 368' ' ' ILE . 0.0 OUTLIER -108.16 -19.61 13.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 4.7599999999999998 109.276 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -127.3 122.54 34.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 2.54 109.289 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 60.7 mt -100.94 157.49 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.445 1.09 . . . . 1.24 109.316 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -93.78 -49.56 5.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 2.27 109.343 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 382' ' ' ALA . . . . . 0.739 ' HB2' ' HA ' ' A' ' 431' ' ' ALA . . . -158.43 164.48 36.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.79000000000000004 109.31 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 383' ' ' ALA . . . . . 0.482 ' HB1' ' CE1' ' A' ' 394' ' ' PHE . . . -154.42 123.76 6.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.579 1.175 . . . . 0.63 109.32 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 385' ' ' PHE . 2.3 t -148.83 158.65 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 2.52 109.349 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 385' ' ' PHE . . . . . 0.422 ' N ' ' CG1' ' A' ' 384' ' ' VAL . 69.1 t80 -87.98 155.08 20.01 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 2.79 110.956 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -119.3 102.87 47.91 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 2.8599999999999999 109.298 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 387' ' ' PRO . . . . . 0.413 ' C ' ' HG2' ' A' ' 388' ' ' ARG . 18.1 Cg_endo -75.02 49.6 2.3 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.506 1.793 . . . . 3.96 110.932 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 388' ' ' ARG . . . . . 0.413 ' HG2' ' C ' ' A' ' 387' ' ' PRO . 2.4 mmm180 -155.78 -39.52 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 3.46 110.3 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -103.32 -1.39 28.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 3.02 110.978 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 52.79 34.97 17.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 3.46 110.973 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -140.43 159.85 41.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 3.6099999999999999 110.267 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 93.5 m -97.27 116.23 29.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.72999999999999998 110.37 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -84.02 101.06 11.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 2.73 111.081 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 394' ' ' PHE . . . . . 0.482 ' CE1' ' HB1' ' A' ' 383' ' ' ALA . 37.1 m-85 -97.13 131.55 43.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 2.46 110.974 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -102.83 115.98 31.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 1.1599999999999999 110.999 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 396' ' ' VAL . . . . . 0.775 HG11 HG22 ' A' ' 377' ' ' VAL . 11.4 t -109.98 92.92 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 2.0099999999999998 109.231 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 59.0 -88.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 3.6600000000000001 109.265 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 396' ' ' VAL . 48.4 t-20 -135.59 49.94 2.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 4.0899999999999999 109.345 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -149.76 161.0 43.1 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.488 1.117 . . . . 3.0 110.308 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 400' ' ' TYR . . . . . 0.569 ' CE2' ' HA ' ' A' ' 418' ' ' ILE . 0.1 OUTLIER -120.32 110.55 16.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 4.4800000000000004 111.009 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' TRP . . . . . 0.561 ' CZ2' ' HB3' ' A' ' 374' ' ' PRO . 3.9 m95 -113.75 94.67 4.95 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.982 -1.118 . . . . 5.6600000000000001 107.982 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.57 121.77 28.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 3.1600000000000001 110.303 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -99.85 158.3 15.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 6.3799999999999999 110.95 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -99.8 122.72 43.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 2.5600000000000001 109.306 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.11 -54.31 4.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 3.3900000000000001 110.28 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -32.63 74.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 5.2000000000000002 110.328 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.27 -43.77 11.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 2.9900000000000002 110.285 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 75.97 42.8 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 2.9500000000000002 110.284 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -145.64 107.42 4.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 2.0299999999999998 111.016 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.26 127.92 34.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 2.0800000000000001 111.077 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.74 137.4 24.85 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 2.8999999999999999 109.298 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 114.96 4.15 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.452 1.764 . . . . 2.4900000000000002 110.964 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 44.34 95.31 0.01 OUTLIER Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.534 1.146 . . . . 2.23 110.952 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 414' ' ' TYR . . . . . 0.444 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 1.7 t80 -134.02 63.16 61.09 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.556 0.797 . . . . 2.5499999999999998 110.953 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 415' ' ' PRO . . . . . 0.416 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -75.0 76.41 3.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 1.75 111.037 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . 0.444 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 23.3 mmtt -89.13 -170.78 3.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 2.5600000000000001 109.256 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . 0.482 HD22 ' HD2' ' A' ' 420' ' ' LYS . 0.0 OUTLIER -135.44 139.64 44.27 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.508 1.13 . . . . 2.4700000000000002 109.244 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.569 ' HA ' ' CE2' ' A' ' 400' ' ' TYR . 7.4 mt -70.32 -66.13 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 1.3100000000000001 109.323 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . 0.424 HG22 HD23 ' A' ' 417' ' ' LEU . 5.5 t -44.67 -47.56 10.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 1.5 110.343 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . 0.482 ' HD2' HD22 ' A' ' 417' ' ' LEU . 37.4 mttt -58.35 -74.7 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.097 . . . . 2.0099999999999998 109.35 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -40.22 -40.54 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 3.4700000000000002 109.27 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 422' ' ' PHE . . . . . 0.566 ' CE2' ' HG2' ' A' ' 456' ' ' GLN . 24.5 m-85 -142.73 118.55 10.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 3.6000000000000001 111.008 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -98.68 115.09 27.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 2.4700000000000002 110.326 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 157.68 -35.76 0.54 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.533 1.146 . . . . 1.52 111.014 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 425' ' ' ILE . . . . . 0.525 ' H ' HD13 ' A' ' 425' ' ' ILE . 0.0 OUTLIER -86.81 -36.95 10.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.569 0.805 . . . . 2.4700000000000002 109.261 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 111.65 174.2 19.73 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.532 1.145 . . . . 1.22 110.978 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -20.3 17.07 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.481 1.779 . . . . 1.26 111.048 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -122.47 142.18 50.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 2.7200000000000002 109.289 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 429' ' ' ILE . . . . . 0.56 HG12 ' CD1' ' A' ' 442' ' ' PHE . 2.6 tp -138.05 130.84 40.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.443 1.089 . . . . 1.8100000000000001 109.322 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 443' ' ' PHE . 4.1 t0 -71.82 -68.18 0.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 2.2400000000000002 109.25 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.739 ' HA ' ' HB2' ' A' ' 382' ' ' ALA . . . -158.48 174.51 14.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 1.02 109.256 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.57 ' HB ' ' CD1' ' A' ' 442' ' ' PHE . 0.7 OUTLIER -159.8 164.2 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 2.4500000000000002 109.344 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 433' ' ' PHE . . . . . 0.496 ' N ' ' CG2' ' A' ' 432' ' ' VAL . 4.7 p90 -152.69 145.74 24.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 2.7599999999999998 111.006 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 434' ' ' TYR . . . . . 0.427 ' O ' ' CG ' ' A' ' 434' ' ' TYR . 22.2 t80 -109.35 80.2 1.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 3.23 110.988 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 22.6 t -112.27 -19.06 12.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 2.8900000000000001 110.061 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 436' ' ' LYS . . . . . 0.583 ' HG2' ' CE1' ' A' ' 441' ' ' TYR . 0.1 OUTLIER -65.13 -168.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 5.5199999999999996 109.313 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -85.46 -46.54 10.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 3.46 109.308 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 438' ' ' LYS . 3.8 tppp? -163.74 61.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 3.9500000000000002 109.279 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -146.27 176.38 9.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 2.3199999999999998 111.034 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -134.14 103.05 5.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 3.7000000000000002 110.995 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 441' ' ' TYR . . . . . 0.583 ' CE1' ' HG2' ' A' ' 436' ' ' LYS . 4.3 m-85 -93.21 117.72 30.4 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.112 . . . . 2.7599999999999998 110.979 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . 0.57 ' CD1' ' HB ' ' A' ' 432' ' ' VAL . 50.2 m-85 -110.16 142.89 41.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 3.1699999999999999 110.973 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 443' ' ' PHE . . . . . 0.538 ' CZ ' ' HG3' ' A' ' 448' ' ' GLN . 17.6 m-85 -111.88 108.72 18.2 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.461 1.101 . . . . 4.3200000000000003 110.969 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -110.19 80.24 1.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 3.1699999999999999 110.316 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 84.72 -116.09 4.22 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.562 1.164 . . . . 2.0499999999999998 110.993 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 17.7 p -109.72 43.83 1.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 0.791 . . . . 1.9399999999999999 110.048 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -150.03 138.75 20.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 2.7799999999999998 109.325 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 448' ' ' GLN . . . . . 0.725 ' NE2' HD21 ' A' ' 462' ' ' LEU . 0.1 OUTLIER -124.39 94.76 4.3 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.48 1.112 . . . . 3.8799999999999999 110.263 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 449' ' ' PHE . . . . . 0.556 ' HB2' ' CE1' ' A' ' 451' ' ' TYR . 73.5 m-85 -80.69 143.45 33.01 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.508 1.13 . . . . 2.9300000000000002 111.044 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 0.532 ' HG2' ' CZ ' ' A' ' 441' ' ' TYR . 1.2 mt-10 -100.68 106.03 17.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 5.79 110.353 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 451' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 449' ' ' PHE . 36.2 m-85 -98.41 172.05 7.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 9.2100000000000009 111.037 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -154.72 93.23 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 2.9399999999999999 109.237 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . 0.5 ' C ' ' CD1' ' A' ' 453' ' ' PHE . 2.2 t80 -49.24 -20.6 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 4.4000000000000004 110.999 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 49.2 tp -42.69 -27.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.598 1.186 . . . . 3.52 109.324 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.437 ' N ' ' C ' ' A' ' 453' ' ' PHE . 1.8 pt? -161.29 27.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 2.6400000000000001 109.295 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . 0.566 ' HG2' ' CE2' ' A' ' 422' ' ' PHE . 9.7 mp0 39.24 61.15 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 3.52 110.306 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -146.0 151.72 38.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 5.3600000000000003 110.295 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 4.0 mt -92.63 147.65 5.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 2.04 109.32 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.29 -39.99 4.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 2.4900000000000002 110.413 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 460' ' ' LYS . . . . . 0.46 ' C ' ' CG2' ' A' ' 461' ' ' THR . 0.0 OUTLIER -158.75 176.34 12.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 5.4100000000000001 109.25 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . 0.46 ' CG2' ' C ' ' A' ' 460' ' ' LYS . 5.8 p -150.68 122.41 8.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.581 1.176 . . . . 2.5299999999999998 110.385 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 462' ' ' LEU . . . . . 0.859 HD12 ' CB ' ' A' ' 466' ' ' SER . 2.3 pt? -125.63 161.31 27.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 1.9199999999999999 109.339 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.44 148.78 25.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 2.54 109.35 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 3.1 t -47.17 -28.57 1.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 2.2400000000000002 109.951 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -96.46 58.18 1.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 3.3599999999999999 109.272 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . 0.859 ' CB ' HD12 ' A' ' 462' ' ' LEU . 0.4 OUTLIER -116.73 -9.75 11.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 2.5299999999999998 110.01 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 17.2 m95 -105.8 -58.89 1.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.999 -1.111 . . . . 3.96 107.999 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 468' ' ' PHE . . . . . 0.524 ' CD1' ' HB2' ' A' ' 470' ' ' CYS . 2.7 t80 -42.22 -50.4 4.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 6.9699999999999998 110.958 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 123.49 44.37 0.32 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.555 1.159 . . . . 2.2999999999999998 110.995 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 470' ' ' CYS . . . . . 1.073 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 N-CA-C 108.306 -0.998 . . . . 3.6699999999999999 108.306 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 471' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 277' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.487 0.184 . . . . 9.1099999999999994 110.978 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -67.52 159.86 75.63 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 7.5 110.29 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -161.83 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.501 1.79 . . . . 3.46 110.989 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 280' ' ' ALA . . . . . 0.594 ' HB1' ' HB2' ' A' ' 283' ' ' ASP . . . -104.71 -67.84 0.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 4.04 109.359 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 281' ' ' LEU . . . . . 0.681 HD22 ' CE2' ' A' ' 468' ' ' PHE . 14.4 mt 60.11 33.91 21.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 3.8300000000000001 109.331 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 282' ' ' CYS . . . . . 1.06 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 0.8 OUTLIER 159.28 51.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.445 1.091 . . . . 3.4399999999999999 108.282 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 283' ' ' ASP . . . . . 0.594 ' HB2' ' HB1' ' A' ' 280' ' ' ALA . 3.6 m-20 -178.79 123.78 0.24 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 3.0299999999999998 109.298 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 87.06 1.36 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.519 1.8 . . . . 2.0499999999999998 111.039 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 285' ' ' ASN . . . . . 0.578 HD22 ' N ' ' A' ' 285' ' ' ASN . 0.0 OUTLIER 178.96 45.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 3.2799999999999998 109.283 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 3.1 tp -92.25 141.34 28.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 2.4399999999999999 109.249 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 35.0 p -128.45 148.92 50.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 1.6799999999999999 109.939 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -128.13 178.44 6.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.557 1.161 . . . . 2.5499999999999998 110.965 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -106.21 -50.81 3.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 2.7799999999999998 109.278 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -143.74 137.0 27.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.80000000000000004 109.331 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 291' ' ' VAL . . . . . 0.511 ' H ' ' HB1' ' A' ' 431' ' ' ALA . 97.2 t -130.79 131.36 64.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 2.8799999999999999 109.327 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 6.0 t -154.62 158.08 39.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 1.8799999999999999 110.379 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 293' ' ' THR . . . . . 0.648 HG21 ' HA ' ' A' ' 435' ' ' SER . 14.6 t -106.47 160.03 15.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 2.6000000000000001 110.38 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 294' ' ' VAL . . . . . 0.77 HG23 ' HB2' ' A' ' 297' ' ' LYS . 21.2 m -149.26 70.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.575 1.172 . . . . 3.5 109.314 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . 0.475 ' O ' ' CB ' ' A' ' 296' ' ' ASN . . . 78.08 48.46 7.62 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.424 1.077 . . . . 3.4199999999999999 110.965 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 296' ' ' ASN . . . . . 0.671 ' O ' HG21 ' A' ' 310' ' ' VAL . 0.2 OUTLIER 80.17 4.51 1.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.759 . . . . 4.25 109.303 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.77 ' HB2' HG23 ' A' ' 294' ' ' VAL . 3.8 mtmm -99.71 115.17 28.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 2.4500000000000002 109.263 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -86.44 133.52 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 3.8999999999999999 109.233 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 299' ' ' PHE . . . . . 0.452 ' CE1' HG21 ' A' ' 294' ' ' VAL . 6.0 m-85 -127.32 83.67 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 3.0600000000000001 110.971 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 300' ' ' PHE . . . . . 0.424 ' HB2' ' CB ' ' A' ' 307' ' ' TRP . 16.2 m-85 -83.64 104.67 13.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 3.8100000000000001 110.993 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -81.52 143.5 31.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 2.4100000000000001 111.043 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 11.6 mmtp -109.42 -60.49 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 4.2999999999999998 109.318 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -166.15 -60.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 2.71 109.309 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.03 -18.53 11.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 4.1500000000000004 110.279 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . 0.529 ' CE1' HD12 ' A' ' 320' ' ' LEU . 20.2 m-85 -124.2 166.92 15.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 2.6800000000000002 110.982 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 306' ' ' PHE . . . . . 0.525 ' CE2' ' HB3' ' A' ' 319' ' ' ASN . 25.2 p90 -121.54 171.04 9.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 1.73 110.992 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 307' ' ' TRP . . . . . 0.464 ' CE2' ' CB ' ' A' ' 316' ' ' THR . 0.0 OUTLIER -119.41 139.43 52.04 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.009 -1.108 . . . . 5.4400000000000004 108.009 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 56.3 tp -146.71 112.76 5.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 2.3700000000000001 109.355 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.83 105.32 2.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 2.3100000000000001 109.332 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . 0.671 HG21 ' O ' ' A' ' 296' ' ' ASN . 0.3 OUTLIER -170.65 -73.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 2.4900000000000002 109.259 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . 0.633 ' H ' HG13 ' A' ' 310' ' ' VAL . 31.1 t -36.15 -76.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.598 1.186 . . . . 4.8899999999999997 110.05 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.03 76.15 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 7.2000000000000002 110.3 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.3 132.1 23.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 4.1200000000000001 110.264 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.57 3.7 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.498 1.788 . . . . 3.02 111.031 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 315' ' ' LYS . . . . . 0.403 ' HG2' ' CE2' ' A' ' 468' ' ' PHE . 0.0 OUTLIER -142.09 164.72 29.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 3.4500000000000002 109.286 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . 0.464 ' CB ' ' CE2' ' A' ' 307' ' ' TRP . 62.8 p -82.38 126.64 32.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 2.1800000000000002 110.429 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 16.8 m -99.83 141.73 32.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 2.29 109.989 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 11.8 m -103.57 70.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 2.6000000000000001 109.261 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . 0.525 ' HB3' ' CE2' ' A' ' 306' ' ' PHE . 2.3 m-20 -81.62 162.87 22.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 2.4399999999999999 109.318 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.529 HD12 ' CE1' ' A' ' 305' ' ' PHE . 0.8 OUTLIER -88.99 153.51 20.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 1.9299999999999999 109.269 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 321' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.13 -68.34 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 1.1000000000000001 109.318 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 32.4 t -40.67 -33.05 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 2.8500000000000001 109.962 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 1.4 t -44.19 -44.24 7.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 1.8899999999999999 110.011 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 7.2 mt -102.23 -79.83 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 2.4300000000000002 109.303 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 325' ' ' TRP . . . . . 0.779 ' HB3' HD23 ' A' ' 328' ' ' LEU . 0.2 OUTLIER -47.45 151.71 1.33 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 1.79 108.026 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 -76.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.527 1.804 . . . . 1.55 111.006 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 327' ' ' THR . . . . . 0.77 ' O ' HD22 ' A' ' 328' ' ' LEU . 10.0 t -122.85 95.95 4.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 1.47 110.416 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.86 HD11 HD11 ' A' ' 355' ' ' ILE . 4.5 mm? -130.22 155.4 80.91 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 1.73 109.25 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 329' ' ' PRO . . . . . 0.406 ' HG2' ' CD1' ' A' ' 332' ' ' ILE . 18.3 Cg_endo -74.97 125.06 9.1 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.539 1.81 . . . . 2.1899999999999999 110.991 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 66.5 m -81.46 142.99 32.41 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.515 1.135 . . . . 2.2799999999999998 110.003 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 76.16 40.85 28.3 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.123 . . . . 1.1799999999999999 110.955 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.765 HG13 HD12 ' A' ' 346' ' ' LEU . 33.2 mm -41.84 152.97 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 2.3500000000000001 109.35 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -100.26 -47.67 4.86 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.437 1.086 . . . . 3.3999999999999999 110.291 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -144.85 118.62 9.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.91000000000000003 109.292 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -114.12 136.95 52.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 1.26 109.3 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 336' ' ' TYR . . . . . 0.517 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 9.8 p90 -154.93 126.22 7.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 2.8500000000000001 111.006 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 337' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.81 150.61 20.51 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 1.149 . . . . 3.8100000000000001 110.306 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . 0.575 HG23 ' O ' ' A' ' 338' ' ' ILE . 13.9 tt -119.37 102.23 12.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 3.0600000000000001 109.294 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -78.2 81.71 4.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 4.0899999999999999 110.306 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -163.01 -59.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 1.8300000000000001 109.323 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -103.86 0.55 30.38 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.417 1.073 . . . . 5.71 110.311 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 2.6 t30 60.01 56.57 3.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 2.2599999999999998 109.333 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . 0.586 ' NE2' HD11 ' A' ' 354' ' ' LEU . 14.5 mt-30 -124.99 131.34 53.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 2.75 110.334 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 344' ' ' VAL . . . . . 0.583 HG12 ' CD2' ' A' ' 346' ' ' LEU . 17.9 t -96.7 141.86 14.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.415 1.072 . . . . 1.1499999999999999 109.327 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 345' ' ' PHE . . . . . 0.688 ' C ' HD22 ' A' ' 346' ' ' LEU . 37.0 m-85 -126.2 125.42 42.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 3.29 111.004 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 0.765 HD12 HG13 ' A' ' 332' ' ' ILE . 4.1 mm? -123.82 114.31 19.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 1.4299999999999999 109.259 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -88.24 141.37 28.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 2.5499999999999998 111.011 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 348' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.0 OUTLIER -161.4 114.91 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 3.3700000000000001 109.277 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 55.49 -149.35 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 4.2999999999999998 109.287 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 350' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 12.0 p-10 -88.71 41.05 1.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 3.0 109.357 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 366' ' ' LYS . 25.9 mtmt -155.87 153.32 29.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 2.1400000000000001 109.341 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 352' ' ' TYR . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 366' ' ' LYS . 24.3 p90 -145.38 138.63 26.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 2.6600000000000001 111.04 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -97.81 166.59 11.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 3.73 107.98 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 354' ' ' LEU . . . . . 0.586 HD11 ' NE2' ' A' ' 343' ' ' GLN . 4.6 tp -132.18 120.45 22.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 2.3599999999999999 109.268 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.86 HD11 HD11 ' A' ' 328' ' ' LEU . 4.6 mp -97.73 99.03 8.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 1.6499999999999999 109.311 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 15.1 t -102.13 125.71 48.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 2.2999999999999998 109.988 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 60.57 42.4 14.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 3.8399999999999999 109.291 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 1.9 mt 59.54 39.8 21.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 4.7400000000000002 109.27 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -152.4 122.46 3.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 4.6100000000000003 110.329 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 360' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 361' ' ' GLU . 18.2 Cg_endo -74.98 111.32 3.3 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.775 . . . . 1.3100000000000001 110.921 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 361' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 360' ' ' PRO . 3.6 mm-40 -36.96 126.79 0.78 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.102 . . . . 3.0600000000000001 110.277 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 128.49 11.58 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.431 1.753 . . . . 2.4100000000000001 110.986 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 363' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 62.55 60.49 1.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 4.3899999999999997 109.321 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 364' ' ' TYR . . . . . 0.511 ' N ' ' HD3' ' A' ' 365' ' ' PRO . 1.4 t80 -135.27 58.09 24.3 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 3.4700000000000002 110.967 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . 0.511 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.1 Cg_endo -75.01 53.16 3.26 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.502 1.79 . . . . 1.6799999999999999 110.936 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 366' ' ' LYS . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 352' ' ' TYR . 9.3 mmpt? -48.77 133.68 17.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.451 1.094 . . . . 2.2999999999999998 109.325 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 3.7 m -115.39 127.72 55.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 2.4300000000000002 110.071 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 372' ' ' GLY . 20.7 pt -49.52 -29.81 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 1.6899999999999999 109.306 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 369' ' ' HIS . . . . . 0.45 ' HA ' ' CB ' ' A' ' 373' ' ' PHE . 53.1 t-80 -60.66 -32.22 71.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 3.71 109.597 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 4.4 p -48.46 -22.93 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 3.46 110.036 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 175.52 59.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 6.4900000000000002 110.922 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 372' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 368' ' ' ILE . . . -170.42 -68.01 0.04 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.453 1.096 . . . . 2.7599999999999998 110.985 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 373' ' ' PHE . . . . . 0.485 ' CZ ' ' O ' ' A' ' 377' ' ' VAL . 2.5 t80 -44.42 102.94 0.31 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.436 0.727 . . . . 7.0499999999999998 111.004 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 374' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -62.51 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.521 1.801 . . . . 3.73 111.038 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 2.0 t30 169.66 43.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 7.1200000000000001 109.343 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 376' ' ' PHE . . . . . 0.417 ' O ' ' O ' ' A' ' 377' ' ' VAL . 3.0 t80 -166.18 -54.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 4.9699999999999998 111.01 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 377' ' ' VAL . . . . . 0.485 ' O ' ' CZ ' ' A' ' 373' ' ' PHE . 2.2 p -42.87 164.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 2.0699999999999998 109.216 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.38 -38.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 4.0800000000000001 109.29 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.29 131.11 25.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 1.76 109.289 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 13.8 mt -100.62 146.71 8.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.93999999999999995 109.282 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.1 -46.02 9.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 2.2999999999999998 109.315 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 382' ' ' ALA . . . . . 0.886 ' HB1' HG22 ' A' ' 432' ' ' VAL . . . -156.62 165.04 37.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 1.02 109.261 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -167.1 132.33 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 1.26 109.297 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . 0.463 HG22 ' H ' ' A' ' 385' ' ' PHE . 8.0 p -134.28 168.94 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 2.0800000000000001 109.294 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 385' ' ' PHE . . . . . 0.486 ' CZ ' HD11 ' A' ' 338' ' ' ILE . 22.7 t80 -125.11 136.41 53.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.133 . . . . 1.78 111.002 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 386' ' ' ASN . . . . . 0.434 ' HB3' ' CB ' ' A' ' 389' ' ' PHE . 0.6 OUTLIER -101.47 122.37 48.22 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 2.0800000000000001 109.333 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -33.02 4.92 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.468 1.773 . . . . 2.1800000000000002 111.058 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.06 26.08 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 3.6299999999999999 110.26 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 389' ' ' PHE . . . . . 0.593 ' C ' ' CG ' ' A' ' 390' ' ' TYR . 2.2 t80 -151.87 -37.01 0.12 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.396 1.06 . . . . 4.1399999999999997 111.027 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 390' ' ' TYR . . . . . 0.593 ' CG ' ' C ' ' A' ' 389' ' ' PHE . 2.0 m-85 73.51 46.11 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 2.3599999999999999 110.956 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 391' ' ' ARG . . . . . 0.453 ' NH1' ' OD2' ' A' ' 404' ' ' ASP . 22.2 mtt-85 -148.52 156.29 42.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 4.7800000000000002 110.372 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 392' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' A' ' 384' ' ' VAL . 20.4 m -117.27 122.44 43.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 1.1699999999999999 110.446 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -78.79 153.07 31.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 2.3399999999999999 111.01 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -128.03 110.29 12.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 2.8300000000000001 110.945 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . 0.725 ' CE2' HG21 ' A' ' 432' ' ' VAL . 61.0 m-85 -97.48 116.09 29.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 1.04 110.972 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 95.7 t -135.55 124.04 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 2.0499999999999998 109.313 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 1.5 t0 47.18 -149.95 0.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 4.9699999999999998 109.274 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . 0.487 ' O ' ' CD1' ' A' ' 417' ' ' LEU . 4.8 m120 -84.01 50.01 1.75 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.519 1.137 . . . . 4.1900000000000004 109.321 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -144.52 155.44 43.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 3.6899999999999999 110.244 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -121.7 119.33 31.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 2.2000000000000002 110.949 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -115.38 166.7 11.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 5.8200000000000003 108.034 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -155.35 129.1 8.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.406 1.066 . . . . 3.02 110.377 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -108.18 148.95 29.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 4.6399999999999997 111.015 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . 0.453 ' OD2' ' NH1' ' A' ' 391' ' ' ARG . 0.2 OUTLIER -95.45 129.23 42.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.148 . . . . 2.52 109.323 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -89.75 -48.35 7.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 3.1099999999999999 110.317 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -62.55 -67.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 7.1600000000000001 110.272 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -59.7 -41.71 91.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 2.7200000000000002 110.279 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 74.09 46.77 0.17 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.15 . . . . 4.3899999999999997 110.353 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 11.0 tpt -143.98 102.81 3.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.138 . . . . 3.1000000000000001 110.999 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.83 127.01 19.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 2.5299999999999998 111.046 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 12.4 p30 -48.15 135.78 11.76 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 5.0700000000000003 109.255 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 108.23 2.67 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 2.3100000000000001 110.994 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 50.14 101.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.548 1.155 . . . . 2.0800000000000001 111.005 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 414' ' ' TYR . . . . . 0.544 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 2.6 t80 -137.39 63.02 40.12 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.428 0.722 . . . . 1.98 110.982 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 415' ' ' PRO . . . . . 0.417 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.5 Cg_endo -74.94 69.01 5.61 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.515 1.797 . . . . 1.72 111.012 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . 0.544 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 2.1 mmtm -87.94 -171.2 3.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 3.79 109.286 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . 0.487 ' CD1' ' O ' ' A' ' 398' ' ' ASN . 9.7 tp -130.79 142.99 50.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 2.3399999999999999 109.347 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.857 HG22 HD11 ' A' ' 425' ' ' ILE . 1.5 mp -70.25 -72.59 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.585 1.178 . . . . 1.05 109.297 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 418' ' ' ILE . 0.2 OUTLIER -33.53 -44.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 1.28 110.449 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -58.35 -67.57 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 1.6000000000000001 109.27 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -41.95 -50.84 4.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 2.1299999999999999 109.271 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 422' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -130.1 106.72 8.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 2.7000000000000002 111.053 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -84.57 109.23 17.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 1.8400000000000001 110.257 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 146.92 -28.51 1.57 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.546 1.153 . . . . 1.3100000000000001 110.964 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 425' ' ' ILE . . . . . 0.857 HD11 HG22 ' A' ' 418' ' ' ILE . 51.0 pt -81.85 -42.75 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 2.21 109.338 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 426' ' ' GLY . . . . . 0.41 ' N ' HG13 ' A' ' 425' ' ' ILE . . . 120.95 170.98 14.21 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.573 1.171 . . . . 1.02 110.932 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . 0.442 ' O ' ' CD1' ' A' ' 418' ' ' ILE . 18.5 Cg_endo -74.94 -30.21 7.52 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.472 1.775 . . . . 1.4199999999999999 111.021 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.34 146.82 38.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 2.6099999999999999 109.322 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 429' ' ' ILE . . . . . 0.436 HD13 ' HD2' ' A' ' 442' ' ' PHE . 11.1 tp -132.21 157.69 43.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 1.6899999999999999 109.321 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.63 -69.44 0.86 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 2.1600000000000001 109.252 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.537 ' O ' HG13 ' A' ' 432' ' ' VAL . . . -131.02 158.03 41.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.76000000000000001 109.297 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.886 HG22 ' HB1' ' A' ' 382' ' ' ALA . 27.0 m -157.34 137.09 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.567 1.167 . . . . 2.9100000000000001 109.268 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -153.64 172.92 16.48 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.447 1.092 . . . . 2.9199999999999999 110.955 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -121.72 100.21 6.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 3.7200000000000002 111.014 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . 0.648 ' HA ' HG21 ' A' ' 293' ' ' THR . 0.4 OUTLIER -112.68 -27.8 8.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 2.48 110.032 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 436' ' ' LYS . . . . . 0.431 ' HG2' ' CE2' ' A' ' 441' ' ' TYR . 7.9 mmtt -66.6 -169.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 3.77 109.328 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -89.45 -45.36 9.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 3.8799999999999999 109.266 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . 0.59 ' O ' ' CD1' ' A' ' 439' ' ' TYR . 0.0 OUTLIER -153.61 63.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 4.1500000000000004 109.27 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 439' ' ' TYR . . . . . 0.59 ' CD1' ' O ' ' A' ' 438' ' ' LYS . 18.8 m-85 -148.64 -179.65 7.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 2.7999999999999998 111.006 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -134.14 123.98 25.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 3.3900000000000001 111.025 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 441' ' ' TYR . . . . . 0.577 ' CE1' ' HG3' ' A' ' 450' ' ' GLU . 4.2 m-85 -97.21 124.7 41.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 2.8799999999999999 110.967 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . 0.492 ' CE2' HD12 ' A' ' 425' ' ' ILE . 7.2 m-85 -129.56 142.07 50.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 3.52 111.029 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 443' ' ' PHE . . . . . 0.551 ' C ' ' CD1' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -148.82 145.25 27.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 4.9800000000000004 110.945 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -157.22 92.29 1.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 5.3600000000000003 110.3 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 119.85 -83.04 0.35 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 1.76 110.98 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 4.9 p -162.08 41.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 1.8100000000000001 110.066 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -141.21 136.86 32.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 2.3300000000000001 109.323 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 448' ' ' GLN . . . . . 0.518 ' CB ' HD21 ' A' ' 462' ' ' LEU . 1.2 mt-30 -113.88 96.68 5.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 2.8500000000000001 110.338 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 449' ' ' PHE . . . . . 0.854 ' CE1' HG22 ' A' ' 461' ' ' THR . 76.8 m-85 -99.64 148.47 24.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 2.96 111.036 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 0.577 ' HG3' ' CE1' ' A' ' 441' ' ' TYR . 0.3 OUTLIER -127.44 126.96 43.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 3.5499999999999998 110.274 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 451' ' ' TYR . . . . . 0.404 ' O ' ' OE1' ' A' ' 450' ' ' GLU . 0.5 OUTLIER -89.3 164.22 15.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 2.8500000000000001 111.001 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -141.98 106.85 4.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 3.5099999999999998 109.315 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -57.91 -20.1 34.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 3.3500000000000001 110.973 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 18.6 tp -42.23 -38.36 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 2.6499999999999999 109.308 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.596 HD23 ' N ' ' A' ' 455' ' ' LEU . 1.5 pt? -170.71 33.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 2.7999999999999998 109.24 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 49.39 56.03 8.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 3.0600000000000001 110.281 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.92 129.62 52.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.15 . . . . 5.6799999999999997 110.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 90.6 mt -98.19 102.47 13.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 1.95 109.272 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 19.7 p -107.53 51.3 0.75 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 3.1899999999999999 110.46 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.5 114.34 2.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 4.1699999999999999 109.292 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . 0.854 HG22 ' CE1' ' A' ' 449' ' ' PHE . 21.8 p -142.74 71.96 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 2.52 110.437 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 462' ' ' LEU . . . . . 0.518 HD21 ' CB ' ' A' ' 448' ' ' GLN . 1.7 pt? -106.88 162.97 13.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 2.1200000000000001 109.265 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.45 149.8 21.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 2.5600000000000001 109.321 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 47.4 t -41.1 -49.42 3.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 1.54 109.954 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 50.4 m-20 -88.16 62.88 6.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 3.1499999999999999 109.274 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . 0.515 ' OG ' HD12 ' A' ' 462' ' ' LEU . 2.6 t -113.29 -13.04 12.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 2.5099999999999998 109.981 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -104.23 -49.07 3.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 4.1900000000000004 108.059 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 468' ' ' PHE . . . . . 0.681 ' CE2' HD22 ' A' ' 281' ' ' LEU . 8.8 t80 -48.53 -53.15 19.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 7.3200000000000003 110.96 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 110.54 71.68 0.66 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.559 1.162 . . . . 2.2599999999999998 110.943 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 470' ' ' CYS . . . . . 1.06 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 N-CA-C 108.305 -0.998 . . . . 3.3399999999999999 108.305 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 471' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 277' ' ' MET . . . . . 0.405 ' N ' ' HE3' ' A' ' 302' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.46 0.171 . . . . 7.6399999999999997 110.994 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . 0.567 ' N ' ' CD ' ' A' ' 279' ' ' PRO . 0.1 OUTLIER -57.88 -48.01 97.9 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.494 1.121 . . . . 5.8200000000000003 110.325 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 279' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 278' ' ' GLU . 18.1 Cg_endo -75.07 54.03 3.55 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.482 1.78 . . . . 4.4500000000000002 110.966 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 280' ' ' ALA . . . . . 0.56 ' HB1' ' ND2' ' A' ' 285' ' ' ASN . . . -169.87 44.63 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 4.0 109.319 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 281' ' ' LEU . . . . . 0.83 HD22 ' HB3' ' A' ' 468' ' ' PHE . 12.2 mt -89.66 -15.16 33.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 2.9199999999999999 109.286 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 282' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.94 -60.21 1.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 3.3999999999999999 108.265 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -60.18 138.03 91.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 3.5899999999999999 109.371 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 85.03 1.58 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.474 1.776 . . . . 2.6000000000000001 110.979 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 285' ' ' ASN . . . . . 0.56 ' ND2' ' HB1' ' A' ' 280' ' ' ALA . 0.4 OUTLIER -164.71 34.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 3.8199999999999998 109.276 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 4.0 tp -103.93 140.22 38.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 3.0099999999999998 109.295 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 38.5 p -146.18 164.93 30.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 1.4199999999999999 109.974 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -129.17 176.63 7.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.75 111.011 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -118.3 -54.12 2.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 2.1699999999999999 109.235 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . 0.889 ' HB2' ' O ' ' A' ' 333' ' ' GLU . . . -153.34 155.11 35.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 1.1100000000000001 109.362 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 291' ' ' VAL . . . . . 1.005 HG21 ' CZ ' ' A' ' 442' ' ' PHE . 13.7 m -147.12 160.49 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 2.1699999999999999 109.274 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . 0.51 ' HB ' ' HB1' ' A' ' 335' ' ' ALA . 4.7 t -153.3 133.86 13.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 1.72 110.361 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -102.18 141.89 34.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.561 1.163 . . . . 2.1299999999999999 110.424 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 294' ' ' VAL . . . . . 0.67 HG22 ' OE1' ' A' ' 337' ' ' GLU . 53.0 t -141.34 83.71 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 2.1299999999999999 109.26 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 98.06 -114.71 5.08 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.454 1.096 . . . . 1.5700000000000001 111.057 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -116.53 14.5 15.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 0.745 . . . . 3.4199999999999999 109.366 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -117.43 147.94 42.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 3.5600000000000001 109.318 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 298' ' ' ILE . . . . . 0.881 ' H ' HG11 ' A' ' 310' ' ' VAL . 6.4 mm -117.18 158.9 17.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 3.9900000000000002 109.281 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -133.08 124.24 27.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 2.6699999999999999 111.032 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 300' ' ' PHE . . . . . 0.729 ' HA ' HG12 ' A' ' 291' ' ' VAL . 84.0 m-85 -114.34 126.67 55.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 2.5899999999999999 111.024 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -113.64 150.51 33.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 2.0899999999999999 110.995 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 302' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 305' ' ' PHE . 0.0 OUTLIER -149.08 87.63 1.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 2.9700000000000002 109.343 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 66.9 -78.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 2.7200000000000002 109.32 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.44 -36.34 2.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.4 1.063 . . . . 5.1500000000000004 110.328 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 302' ' ' LYS . 46.2 m-85 -86.08 144.67 27.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 3.0899999999999999 110.986 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 306' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -123.42 135.3 54.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 1.7 111.003 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 307' ' ' TRP . . . . . 0.51 ' CZ3' ' N ' ' A' ' 318' ' ' VAL . 1.3 m95 -87.84 169.7 11.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 5.9100000000000001 108.074 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 308' ' ' LEU . 0.2 OUTLIER -155.27 116.6 3.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 1.97 109.344 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 309' ' ' LYS . . . . . 0.506 ' HD3' HG22 ' A' ' 316' ' ' THR . 8.8 tptp -151.1 95.25 2.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.428 1.08 . . . . 2.21 109.314 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . 0.881 HG11 ' H ' ' A' ' 298' ' ' ILE . 7.1 p -175.46 168.92 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 2.0699999999999998 109.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . 0.545 ' N ' HG22 ' A' ' 310' ' ' VAL . 34.2 t 45.05 90.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 3.9300000000000002 109.985 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 312' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 311' ' ' SER . 8.3 pt-20 35.74 73.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 4.5700000000000003 110.32 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.72 103.3 53.88 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 4.1799999999999997 110.263 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -26.44 11.09 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.463 1.77 . . . . 1.96 111.006 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -150.03 146.14 26.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 4.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . 0.506 HG22 ' HD3' ' A' ' 309' ' ' LYS . 10.7 p -83.69 158.37 21.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 1.1699999999999999 110.407 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.98 116.23 18.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.457 1.098 . . . . 1.9399999999999999 110.01 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 318' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 318' ' ' VAL . 7.9 p -98.67 100.14 9.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 3.1000000000000001 109.244 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -122.62 175.97 6.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 2.6299999999999999 109.305 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.49 160.72 20.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.085 . . . . 1.78 109.355 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 321' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 322' ' ' SER . 8.3 mt -70.2 -60.82 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 1.23 109.317 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 322' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 325' ' ' TRP . 4.3 m -38.04 -47.03 1.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 1.72 110.049 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 17.5 m -39.79 -38.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 1.53 110.028 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.21 -85.6 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 2.8300000000000001 109.25 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 325' ' ' TRP . . . . . 0.615 ' HB3' HD23 ' A' ' 328' ' ' LEU . 0.1 OUTLIER -58.72 151.09 54.74 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 2.1800000000000002 107.967 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -66.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 1.03 111.009 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 327' ' ' THR . . . . . 0.647 ' O ' HD22 ' A' ' 328' ' ' LEU . 0.0 OUTLIER -122.72 94.34 4.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 1.6299999999999999 110.356 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.647 HD22 ' O ' ' A' ' 327' ' ' THR . 1.8 mm? -124.74 153.63 70.32 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 1.4299999999999999 109.317 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 133.57 16.76 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.553 1.817 . . . . 2.1000000000000001 111.038 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 2.0 m -84.55 130.78 34.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 2.2799999999999998 109.962 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 85.33 51.0 3.85 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.108 . . . . 1.3100000000000001 110.936 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.747 HG21 HD12 ' A' ' 346' ' ' LEU . 3.5 mp -53.78 140.03 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 1.8700000000000001 109.356 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . 0.889 ' O ' ' HB2' ' A' ' 290' ' ' ALA . 10.4 mm-40 -104.13 -53.39 2.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.55 1.156 . . . . 2.8500000000000001 110.345 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 334' ' ' ALA . . . . . 1.009 ' HB1' ' HB2' ' A' ' 383' ' ' ALA . . . -127.78 110.77 12.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 1.3200000000000001 109.339 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . 0.51 ' HB1' ' HB ' ' A' ' 292' ' ' THR . . . -109.59 115.13 29.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 1.1100000000000001 109.296 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 336' ' ' TYR . . . . . 0.508 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 13.2 p90 -148.75 125.14 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 3.5600000000000001 110.96 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 337' ' ' GLU . . . . . 0.67 ' OE1' HG22 ' A' ' 294' ' ' VAL . 0.9 OUTLIER -94.75 160.38 14.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 3.7599999999999998 110.285 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 338' ' ' ILE . 4.0 mp -99.97 85.08 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 4.8399999999999999 109.304 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.65 76.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 3.52 110.311 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 338' ' ' ILE . . . -158.9 -53.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 1.95 109.284 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -108.73 14.16 24.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 3.75 110.273 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 3.3 t30 58.91 63.22 1.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 2.1099999999999999 109.292 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -126.77 179.95 5.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 4.0700000000000003 110.286 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 344' ' ' VAL . . . . . . . . . . . . . 3.8 t -141.27 153.46 20.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 1.6100000000000001 109.259 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 345' ' ' PHE . . . . . 0.606 ' C ' HD22 ' A' ' 346' ' ' LEU . 0.2 OUTLIER -147.75 137.16 22.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 3.0699999999999998 110.99 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 0.747 HD12 HG21 ' A' ' 332' ' ' ILE . 3.5 mm? -131.44 159.91 36.69 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.442 1.089 . . . . 1.74 109.324 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -136.44 146.16 46.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 2.98 111.043 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 348' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.3 OUTLIER -167.95 130.2 1.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 3.0499999999999998 109.246 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.8 t70 54.32 -150.31 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 3.1800000000000002 109.287 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 350' ' ' ASP . . . . . 0.499 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 7.1 t0 -88.25 41.62 1.02 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 3.6000000000000001 109.25 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 19.3 mttp -155.91 155.43 32.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 2.2999999999999998 109.336 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 352' ' ' TYR . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 366' ' ' LYS . 26.3 p90 -138.93 136.08 35.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 2.8799999999999999 111.016 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -102.4 170.58 7.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 4.0599999999999996 107.988 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 354' ' ' LEU . . . . . 0.691 ' C ' HD12 ' A' ' 355' ' ' ILE . 0.0 OUTLIER -148.23 137.73 22.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 4.0099999999999998 109.285 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.691 HD12 ' C ' ' A' ' 354' ' ' LEU . 1.7 mp -112.59 125.68 69.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 1.3200000000000001 109.29 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 356' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 358' ' ' LEU . 0.5 OUTLIER -94.43 92.94 7.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 1.8899999999999999 110.003 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 357' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 356' ' ' SER . 0.7 OUTLIER 70.29 -58.14 0.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 4.04 109.317 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 356' ' ' SER . 4.0 tp -147.87 -52.53 0.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 3.71 109.264 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -89.35 121.35 69.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 4.7199999999999998 110.297 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 360' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -162.03 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.473 1.775 . . . . 2.21 110.969 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 361' ' ' GLU . . . . . 0.425 ' HG3' HD11 ' A' ' 354' ' ' LEU . 3.4 mm-40 -86.89 157.45 54.55 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 2.8300000000000001 110.254 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 362' ' ' PRO . . . . . 0.463 ' O ' ' CB ' ' A' ' 363' ' ' ASN . 18.5 Cg_endo -74.99 66.5 6.01 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.436 1.756 . . . . 2.2400000000000002 110.965 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 363' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 362' ' ' PRO . 0.7 OUTLIER 79.9 104.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 4.5599999999999996 109.28 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 364' ' ' TYR . . . . . 0.546 ' CD2' ' HD2' ' A' ' 366' ' ' LYS . 0.4 OUTLIER -127.0 65.58 64.44 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 3.2200000000000002 111.001 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . 0.44 ' HD3' ' C ' ' A' ' 363' ' ' ASN . 18.3 Cg_endo -75.0 55.62 4.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.504 1.792 . . . . 1.26 110.999 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 366' ' ' LYS . . . . . 0.546 ' HD2' ' CD2' ' A' ' 364' ' ' TYR . 0.0 OUTLIER -76.95 171.98 13.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 2.0699999999999998 109.269 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 42.5 m -136.44 131.13 33.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 2.0499999999999998 110.034 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 29.6 pt -52.18 -37.54 22.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 1.76 109.358 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -55.96 -18.07 8.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 2.6600000000000001 109.636 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 21.9 m -67.5 -14.59 63.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 2.52 110.026 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 371' ' ' PHE . . . . . 0.557 ' CG ' ' O ' ' A' ' 371' ' ' PHE . 6.1 p90 -167.4 56.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 6.2699999999999996 110.966 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 372' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -163.5 -49.94 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.469 1.105 . . . . 2.8799999999999999 110.983 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 373' ' ' PHE . . . . . 0.436 ' N ' ' HD3' ' A' ' 374' ' ' PRO . 32.7 t80 35.85 62.3 2.67 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.568 0.805 . . . . 6.7599999999999998 111.012 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 374' ' ' PRO . . . . . 0.436 ' HD3' ' N ' ' A' ' 373' ' ' PHE . 18.2 Cg_endo -74.97 -164.89 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.576 1.83 . . . . 2.23 111.006 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -74.6 -50.8 16.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 6.2800000000000002 109.4 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -172.24 78.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 4.7599999999999998 110.959 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 377' ' ' VAL . . . . . . . . . . . . . 83.2 t -104.57 158.71 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 2.6400000000000001 109.32 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -172.79 -41.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.077 . . . . 2.9500000000000002 109.26 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -127.52 122.89 34.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 1.6200000000000001 109.335 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . 0.575 HG22 ' H ' ' A' ' 381' ' ' ASP . 5.3 mm -92.01 172.23 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 2.1899999999999999 109.288 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 381' ' ' ASP . . . . . 0.581 ' O ' 'CA ' ' A' ' 471' ' ' ' CA' . 25.4 m-20 -113.81 -47.31 2.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 2.3300000000000001 109.288 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 382' ' ' ALA . . . . . 0.54 ' CB ' HG12 ' A' ' 432' ' ' VAL . . . -159.85 170.47 21.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 1.0900000000000001 109.296 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 383' ' ' ALA . . . . . 1.009 ' HB2' ' HB1' ' A' ' 334' ' ' ALA . . . -149.57 117.72 6.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 1.1899999999999999 109.273 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . 0.4 HG13 ' CD1' ' A' ' 434' ' ' TYR . 4.3 t -128.7 139.86 50.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 2.1600000000000001 109.297 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 385' ' ' PHE . . . . . 0.494 ' HD1' ' HH ' ' A' ' 434' ' ' TYR . 13.9 t80 -103.22 139.58 38.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 1.96 110.98 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -113.34 117.25 45.58 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.077 . . . . 2.71 109.296 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -15.02 20.95 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.499 1.789 . . . . 1.75 110.999 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.7 -48.14 17.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 2.2599999999999998 110.283 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -91.77 -5.87 52.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 2.6099999999999999 110.999 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 57.0 29.74 16.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 2.5499999999999998 110.979 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 2.0 mtm-85 -129.92 178.75 6.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 3.7599999999999998 110.309 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 37.5 m -126.69 128.64 47.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.71999999999999997 110.379 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . 0.486 ' CE2' ' OH ' ' A' ' 400' ' ' TYR . 8.7 m-85 -85.28 125.32 32.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 1.6799999999999999 110.985 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -107.47 107.48 18.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 2.3100000000000001 111.047 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -85.39 108.36 17.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 1.8300000000000001 111.005 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 396' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 396' ' ' VAL . 21.7 m -129.38 120.2 50.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 3.0800000000000001 109.329 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 52.9 -149.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 3.27 109.305 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . 0.45 ' O ' ' CD1' ' A' ' 417' ' ' LEU . 2.3 m120 -89.87 49.65 1.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.179 . . . . 4.7300000000000004 109.256 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 399' ' ' GLN . . . . . 0.465 ' O ' HD11 ' A' ' 418' ' ' ILE . 16.0 mm100 -146.98 165.82 28.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 4.4500000000000002 110.273 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 400' ' ' TYR . . . . . 0.486 ' OH ' ' CE2' ' A' ' 393' ' ' TYR . 1.6 t80 -121.46 125.56 47.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 2.7400000000000002 110.997 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -119.57 160.76 21.83 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.981 -1.118 . . . . 5.6100000000000003 107.981 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -153.77 117.78 4.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 3.3300000000000001 110.282 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -109.54 126.58 53.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 5.0499999999999998 111.103 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.28 121.98 16.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 1.8899999999999999 109.284 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -91.84 -42.49 10.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 3.0499999999999998 110.343 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.29 -53.6 34.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 5.5099999999999998 110.281 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.38 -39.75 62.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 2.6600000000000001 110.258 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 74.14 54.28 0.1 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 2.9399999999999999 110.294 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -150.36 96.92 2.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.539 1.15 . . . . 2.6000000000000001 110.995 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.69 125.87 18.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 3.5699999999999998 110.991 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.54 143.99 45.58 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 2.5600000000000001 109.253 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 412' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 413' ' ' GLY . 18.5 Cg_endo -74.98 105.16 2.03 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.774 . . . . 2.2799999999999998 111.04 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 413' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 412' ' ' PRO . . . 51.03 103.25 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 1.8700000000000001 110.995 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 414' ' ' TYR . . . . . 0.531 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 1.9 t80 -137.51 62.9 38.75 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.764 . . . . 1.8300000000000001 111.03 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 415' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.2 Cg_endo -75.01 72.22 4.74 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.45 1.763 . . . . 1.74 111.011 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . 0.531 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 6.5 mmtt -85.13 -175.04 5.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 2.5699999999999998 109.253 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . 0.45 ' CD1' ' O ' ' A' ' 398' ' ' ASN . 22.4 tp -132.67 137.58 47.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 2.96 109.289 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.465 HD11 ' O ' ' A' ' 399' ' ' GLN . 0.6 OUTLIER -70.27 -38.53 74.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 1.3300000000000001 109.357 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.55 -40.6 95.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 2.25 110.363 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 421' ' ' ASN . 60.4 mttt -63.44 -75.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 1.5700000000000001 109.309 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . 0.652 ' ND2' ' CZ ' ' A' ' 422' ' ' PHE . 32.4 t-20 -39.86 -56.98 1.67 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 2.4399999999999999 109.337 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 422' ' ' PHE . . . . . 0.652 ' CZ ' ' ND2' ' A' ' 421' ' ' ASN . 11.7 m-85 -106.18 89.59 3.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 3.8199999999999998 111.04 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -73.08 140.0 46.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 2.46 110.373 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 92.91 -20.06 47.88 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.543 1.152 . . . . 1.6200000000000001 110.999 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 425' ' ' ILE . . . . . 0.539 HD11 ' CD1' ' A' ' 451' ' ' TYR . 5.5 mm -68.65 -81.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 3.75 109.315 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 161.25 165.11 17.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 1.0900000000000001 111.016 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.11 18.96 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.567 1.825 . . . . 1.8899999999999999 111.061 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.42 145.42 26.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 4.2599999999999998 109.294 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 429' ' ' ILE . . . . . 0.89 HD11 ' OH ' ' A' ' 440' ' ' TYR . 0.2 OUTLIER -125.21 121.88 61.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 3.0499999999999998 109.309 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -57.93 -35.84 71.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 2.3500000000000001 109.359 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.587 ' HB3' ' HE2' ' A' ' 442' ' ' PHE . . . -170.27 157.12 6.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.584 1.178 . . . . 1.23 109.283 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.54 HG12 ' CB ' ' A' ' 382' ' ' ALA . 6.5 p -161.21 152.51 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 2.1899999999999999 109.291 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 433' ' ' PHE . . . . . 0.558 ' O ' ' CD1' ' A' ' 433' ' ' PHE . 0.0 OUTLIER -152.47 152.9 32.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 3.9900000000000002 110.952 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 434' ' ' TYR . . . . . 0.559 ' CG ' ' O ' ' A' ' 434' ' ' TYR . 5.8 p90 -126.45 124.01 39.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 7.0199999999999996 110.936 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . 0.44 ' HB3' ' CE2' ' A' ' 433' ' ' PHE . 24.1 p -120.26 12.96 11.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 3.71 109.985 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 436' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.34 -170.84 2.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 6.8499999999999996 109.329 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -63.72 -73.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 9.3800000000000008 109.299 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . 0.499 ' O ' ' CG ' ' A' ' 438' ' ' LYS . 2.7 tttt -132.89 61.1 1.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 7.4500000000000002 109.343 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -130.16 136.09 48.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 3.4399999999999999 111.006 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 440' ' ' TYR . . . . . 0.89 ' OH ' HD11 ' A' ' 429' ' ' ILE . 0.1 OUTLIER -127.17 131.01 50.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 11.58 110.999 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 441' ' ' TYR . . . . . 0.591 ' N ' ' CD1' ' A' ' 441' ' ' TYR . 0.0 OUTLIER -157.23 101.09 1.88 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.584 1.177 . . . . 5.96 111.029 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . 1.005 ' CZ ' HG21 ' A' ' 291' ' ' VAL . 4.3 t80 -155.6 175.82 13.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 10.66 110.937 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 443' ' ' PHE . . . . . 0.631 ' CE1' ' CG ' ' A' ' 448' ' ' GLN . 46.9 m-85 -78.28 151.52 32.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 5.4400000000000004 110.955 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . 0.415 ' O ' ' CD ' ' A' ' 444' ' ' GLN . 8.2 tm0? -138.36 72.24 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 4.0300000000000002 110.254 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 445' ' ' GLY . . . . . 0.401 ' O ' ' CB ' ' A' ' 446' ' ' SER . . . 97.81 -38.71 2.99 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.436 1.085 . . . . 2.1699999999999999 111.004 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 445' ' ' GLY . 0.4 OUTLIER 165.75 41.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 2.0899999999999999 109.969 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 447' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 443' ' ' PHE . 0.1 OUTLIER -154.71 120.09 5.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 2.25 109.282 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 448' ' ' GLN . . . . . 0.631 ' CG ' ' CE1' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -100.77 112.08 24.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 3.8999999999999999 110.323 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 449' ' ' PHE . . . . . 0.515 ' N ' ' CD1' ' A' ' 449' ' ' PHE . 1.7 p90 -139.87 163.43 32.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 4.2000000000000002 110.974 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 0.431 ' O ' HG23 ' A' ' 458' ' ' ILE . 0.5 OUTLIER -111.29 147.41 35.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 4.0800000000000001 110.347 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 451' ' ' TYR . . . . . 0.539 ' CD1' HD11 ' A' ' 425' ' ' ILE . 85.4 t80 -133.85 100.09 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.08 . . . . 2.9100000000000001 110.994 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -89.18 111.04 21.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 3.3799999999999999 109.283 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -57.87 -15.81 9.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 4.0199999999999996 111.024 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 12.2 tp -45.3 -26.82 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 2.5099999999999998 109.302 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 456' ' ' GLN . 2.3 pt? -174.35 33.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.383 1.052 . . . . 1.8899999999999999 109.292 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 455' ' ' LEU . 15.5 pt20 35.93 63.98 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 4.2999999999999998 110.335 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -122.29 136.65 54.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 3.0699999999999998 110.3 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 458' ' ' ILE . . . . . 0.431 HG23 ' O ' ' A' ' 450' ' ' GLU . 14.0 mt -108.46 93.78 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 1.53 109.343 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 2.7 t -102.87 38.91 1.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 3.1000000000000001 110.437 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -159.95 124.83 3.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 2.96 109.313 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 1.1 p -138.83 73.7 1.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 2.8599999999999999 110.462 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 462' ' ' LEU . . . . . 0.883 HD11 ' CB ' ' A' ' 466' ' ' SER . 27.0 tp -99.23 161.38 13.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 3.6600000000000001 109.316 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 463' ' ' LYS . . . . . 0.463 ' N ' ' HG ' ' A' ' 462' ' ' LEU . 4.2 mmpp? -78.0 176.87 8.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 2.9100000000000001 109.26 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . 0.613 ' HA ' ' CD1' ' A' ' 443' ' ' PHE . 7.5 t -73.2 -44.82 59.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 2.3199999999999998 110.032 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -121.01 79.13 1.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 2.9700000000000002 109.288 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . 0.883 ' CB ' HD11 ' A' ' 462' ' ' LEU . 0.4 OUTLIER -114.67 5.79 15.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 4.2000000000000002 109.956 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -132.46 -49.97 0.92 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.055 -1.091 . . . . 6.1200000000000001 108.055 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 468' ' ' PHE . . . . . 0.83 ' HB3' HD22 ' A' ' 281' ' ' LEU . 16.4 m-85 -47.4 -63.96 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 7.2800000000000002 111.017 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -112.44 -64.84 0.48 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.494 1.121 . . . . 4.3700000000000001 111.045 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 60.5 m . . . . . 0 C--N 1.326 -0.449 0 N-CA-C 108.257 -1.016 . . . . 3.6899999999999999 108.257 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 471' ' ' ' CA' . . . . . 0.581 'CA ' ' O ' ' A' ' 381' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 277' ' ' MET . . . . . 0.723 ' HA ' HG13 ' A' ' 318' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.539 0.209 . . . . 8.4700000000000006 110.984 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . 0.494 ' N ' ' HD3' ' A' ' 279' ' ' PRO . 0.0 OUTLIER -136.9 59.52 23.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 8.1500000000000004 110.275 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 279' ' ' PRO . . . . . 0.614 ' O ' ' HB2' ' A' ' 280' ' ' ALA . 18.2 Cg_endo -75.05 -52.24 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.605 1.845 . . . . 3.2000000000000002 110.985 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 280' ' ' ALA . . . . . 0.614 ' HB2' ' O ' ' A' ' 279' ' ' PRO . . . 169.25 104.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.569 1.168 . . . . 2.9100000000000001 109.351 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 281' ' ' LEU . . . . . 0.5 ' HB3' ' CE2' ' A' ' 468' ' ' PHE . 24.9 mt -94.33 94.12 8.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 3.0699999999999998 109.261 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 282' ' ' CYS . . . . . 1.081 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 42.1 t -178.44 -51.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 3.2400000000000002 108.286 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.21 149.89 40.76 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 3.73 109.258 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 97.72 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.469 1.773 . . . . 2.04 111.008 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -156.8 30.64 0.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 3.3999999999999999 109.257 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 286' ' ' LEU . . . . . 0.956 HD11 ' CZ2' ' A' ' 307' ' ' TRP . 27.5 tp -110.92 157.85 19.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 2.5800000000000001 109.256 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 79.1 p -144.87 162.83 35.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 1.3700000000000001 110.04 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -129.64 171.75 12.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 2.46 111.052 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -122.2 -43.17 2.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 3.6099999999999999 109.305 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 333' ' ' GLU . . . -155.15 131.16 10.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.88 109.319 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 291' ' ' VAL . . . . . 0.901 HG21 ' CE2' ' A' ' 300' ' ' PHE . 6.8 p -135.95 145.43 31.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 2.7400000000000002 109.288 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 9.3 t -153.52 154.15 33.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 1.5800000000000001 110.371 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 293' ' ' THR . . . . . 0.585 HG21 ' CB ' ' A' ' 435' ' ' SER . 11.1 t -106.5 146.41 30.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 2.5699999999999998 110.358 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 294' ' ' VAL . . . . . 0.496 ' O ' HG23 ' A' ' 294' ' ' VAL . 31.5 m -132.42 76.48 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 2.7799999999999998 109.316 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 95.52 -90.75 1.27 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.541 1.15 . . . . 1.6200000000000001 111.031 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 296' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 296' ' ' ASN . 2.0 p-10 -134.23 16.42 3.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.78 . . . . 4.1699999999999999 109.236 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.575 ' HA ' HG11 ' A' ' 310' ' ' VAL . 0.2 OUTLIER -124.08 152.52 42.61 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.499 1.125 . . . . 2.3900000000000001 109.323 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 298' ' ' ILE . . . . . 0.409 HG21 ' CE1' ' A' ' 300' ' ' PHE . 9.8 mt -115.45 140.48 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 2.3500000000000001 109.292 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -129.54 93.21 3.49 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.535 1.147 . . . . 2.8199999999999998 110.976 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 300' ' ' PHE . . . . . 0.901 ' CE2' HG21 ' A' ' 291' ' ' VAL . 78.1 m-85 -82.58 120.41 25.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 3.2599999999999998 111.004 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -104.81 155.97 18.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 2.6699999999999999 110.999 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -160.24 -50.3 0.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 4.2800000000000002 109.282 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 303' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 305' ' ' PHE . 1.5 t0 172.42 100.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 4.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 304' ' ' ARG . . . . . 0.465 ' HB2' ' O ' ' A' ' 303' ' ' ASP . 0.0 OUTLIER 67.37 -58.61 0.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 5.3499999999999996 110.306 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . 0.509 ' CG ' ' HG3' ' A' ' 277' ' ' MET . 19.3 m-85 -88.29 126.08 35.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 2.8500000000000001 111.051 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 306' ' ' PHE . . . . . 0.43 ' CB ' ' O ' ' A' ' 300' ' ' PHE . 6.2 p90 -124.9 136.18 53.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 2.0800000000000001 111.005 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 307' ' ' TRP . . . . . 0.956 ' CZ2' HD11 ' A' ' 286' ' ' LEU . 31.7 m-90 -79.89 136.84 36.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 5.1200000000000001 107.991 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.557 HD21 ' CZ ' ' A' ' 313' ' ' ARG . 4.4 tp -149.47 101.59 3.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 2.2799999999999998 109.321 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 309' ' ' LYS . . . . . 0.738 ' HB2' HG22 ' A' ' 316' ' ' THR . 1.0 OUTLIER -122.62 82.9 2.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 2.6499999999999999 109.286 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . 0.694 HG13 ' N ' ' A' ' 311' ' ' SER . 0.6 OUTLIER -151.59 -161.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 2.6600000000000001 109.272 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . 0.694 ' N ' HG13 ' A' ' 310' ' ' VAL . 0.7 OUTLIER 38.3 -148.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 5.2699999999999996 109.994 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -82.6 67.3 8.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 7.5199999999999996 110.291 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 313' ' ' ARG . . . . . 0.557 ' CZ ' HD21 ' A' ' 308' ' ' LEU . 6.9 mtt180 -137.77 116.3 9.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 4.8499999999999996 110.294 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -25.47 11.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.504 1.791 . . . . 2.3399999999999999 110.995 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.22 170.86 11.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 6.7300000000000004 109.315 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . 0.738 HG22 ' HB2' ' A' ' 309' ' ' LYS . 63.8 p -75.29 146.43 41.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 1.4199999999999999 110.422 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . 0.505 ' CB ' HD23 ' A' ' 308' ' ' LEU . 0.1 OUTLIER -80.55 151.0 29.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 2.9199999999999999 110.003 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 318' ' ' VAL . . . . . 0.723 HG13 ' HA ' ' A' ' 277' ' ' MET . 40.7 t -144.13 79.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.556 1.16 . . . . 2.0699999999999998 109.296 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -124.2 169.9 11.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 2.0699999999999998 109.307 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.89 154.05 18.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 1.6200000000000001 109.317 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 321' ' ' ILE . . . . . 0.411 HG23 ' HB2' ' A' ' 325' ' ' TRP . 1.4 mp -66.91 -64.61 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 1.4199999999999999 109.314 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 19.3 m -46.2 -34.49 4.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 1.76 110.006 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 323' ' ' SER . . . . . 0.728 ' HB3' HD12 ' A' ' 324' ' ' LEU . 0.3 OUTLIER -43.02 -50.37 5.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 1.3100000000000001 110.023 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . 0.728 HD12 ' HB3' ' A' ' 323' ' ' SER . 3.9 mp -108.98 -65.91 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 2.29 109.382 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 325' ' ' TRP . . . . . 0.457 ' HB3' ' CB ' ' A' ' 328' ' ' LEU . 0.0 OUTLIER -42.2 148.86 0.47 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 2.5699999999999998 107.985 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -82.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.428 1.752 . . . . 1.2 110.982 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 327' ' ' THR . . . . . . . . . . . . . 9.2 t -110.48 5.62 21.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 1.99 110.404 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.902 HD21 HD11 ' A' ' 355' ' ' ILE . 0.5 OUTLIER -44.01 130.85 4.3 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 1.9299999999999999 109.304 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 329' ' ' PRO . . . . . 0.794 ' HD2' HD13 ' A' ' 328' ' ' LEU . 18.0 Cg_endo -75.13 148.23 34.52 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.407 1.74 . . . . 2.6200000000000001 110.932 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 4.5 m -104.73 155.02 19.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 2.6099999999999999 110.014 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 86.07 32.51 17.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 1.27 110.985 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.718 HD12 ' HB3' ' A' ' 346' ' ' LEU . 51.7 mm -47.41 130.01 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 0.745 . . . . 2.3700000000000001 109.332 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . 0.684 ' O ' ' HB2' ' A' ' 290' ' ' ALA . 47.2 mm-40 -85.99 -49.45 7.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.415 1.072 . . . . 2.5 110.334 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -138.61 110.37 7.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.414 1.071 . . . . 1.1299999999999999 109.357 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . 0.511 ' HB2' HG21 ' A' ' 332' ' ' ILE . . . -102.17 126.27 49.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.82999999999999996 109.271 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 336' ' ' TYR . . . . . 0.552 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 15.1 p90 -152.94 122.42 6.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 3.48 110.936 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 337' ' ' GLU . . . . . 0.42 ' CD ' ' N ' ' A' ' 338' ' ' ILE . 0.2 OUTLIER -95.62 -179.74 4.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 4.2400000000000002 110.289 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . 0.528 HG23 ' O ' ' A' ' 338' ' ' ILE . 19.0 tt -137.53 101.23 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 3.46 109.243 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -68.17 78.83 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.406 1.066 . . . . 3.1200000000000001 110.34 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -159.99 -53.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 1.8600000000000001 109.32 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -112.41 4.29 17.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 3.54 110.325 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.17 70.84 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 2.75 109.3 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -134.67 179.28 6.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 2.5499999999999998 110.302 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 344' ' ' VAL . . . . . 0.466 ' CG1' HD21 ' A' ' 346' ' ' LEU . 85.6 t -147.89 125.69 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.088 . . . . 1.3300000000000001 109.36 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 345' ' ' PHE . . . . . 0.464 ' CB ' ' CZ ' ' A' ' 336' ' ' TYR . 61.1 m-85 -113.48 86.7 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 3.1600000000000001 110.999 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 0.718 ' HB3' HD12 ' A' ' 332' ' ' ILE . 13.9 mt -81.59 148.99 28.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 2.29 109.308 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -118.85 144.54 46.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 2.6899999999999999 110.971 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 348' ' ' LYS . . . . . 0.474 ' HD3' ' CB ' ' A' ' 329' ' ' PRO . 1.5 ptmt -161.45 124.04 3.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 4.96 109.308 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 53.76 -150.41 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 3.75 109.297 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 350' ' ' ASP . . . . . 0.477 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 5.5 p-10 -87.95 41.47 1.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 3.3599999999999999 109.225 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.477 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 24.5 mttp -155.77 154.93 32.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 2.48 109.333 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 352' ' ' TYR . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 366' ' ' LYS . 19.7 p90 -137.42 135.63 37.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 2.7999999999999998 111.011 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 353' ' ' TRP . . . . . 0.415 ' CD2' ' HG3' ' A' ' 329' ' ' PRO . 1.2 m-90 -93.64 138.65 31.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 3.8700000000000001 108.02 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 354' ' ' LEU . . . . . 0.66 ' O ' HD23 ' A' ' 354' ' ' LEU . 0.0 OUTLIER -109.15 105.26 14.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 3.0499999999999998 109.299 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.902 HD11 HD21 ' A' ' 328' ' ' LEU . 83.0 mt -83.22 145.93 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 2.0600000000000001 109.296 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 29.3 t -137.68 103.74 5.11 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.513 1.133 . . . . 1.52 109.972 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 357' ' ' ASN . . . . . 0.7 ' O ' HD23 ' A' ' 358' ' ' LEU . 22.5 m-80 61.39 55.42 2.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 3.1400000000000001 109.29 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . 0.7 HD23 ' O ' ' A' ' 357' ' ' ASN . 0.3 OUTLIER 57.94 35.04 24.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 2.7999999999999998 109.287 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.31 106.1 7.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.599 1.187 . . . . 3.8500000000000001 110.302 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 360' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 361' ' ' GLU . 18.3 Cg_endo -75.0 109.36 2.91 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.545 1.813 . . . . 1.97 110.975 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 361' ' ' GLU . . . . . 0.53 ' CG ' HD23 ' A' ' 354' ' ' LEU . 35.8 mm-40 -34.24 123.64 0.51 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 2.9100000000000001 110.281 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 124.19 8.49 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.466 1.772 . . . . 2.3599999999999999 111.03 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 363' ' ' ASN . . . . . 0.448 ' C ' ' HD3' ' A' ' 365' ' ' PRO . 18.8 m120 65.44 62.54 0.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 4.5300000000000002 109.255 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 364' ' ' TYR . . . . . 0.58 ' CE2' ' HD3' ' A' ' 366' ' ' LYS . 0.3 OUTLIER -132.64 56.83 24.61 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 2.9700000000000002 110.993 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . 0.535 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.5 Cg_endo -74.95 51.39 2.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 1.49 111.004 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 366' ' ' LYS . . . . . 0.58 ' HD3' ' CE2' ' A' ' 364' ' ' TYR . 0.1 OUTLIER -57.45 142.87 42.53 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.524 1.14 . . . . 1.71 109.312 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 90.2 p -118.12 129.49 55.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 1.96 109.968 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 5.7 pt -45.64 -28.05 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 1.5700000000000001 109.263 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 369' ' ' HIS . . . . . 0.629 ' NE2' ' CD1' ' A' ' 373' ' ' PHE . 15.2 m-70 -55.6 -18.86 8.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 5.29 109.65 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 1.6 m -60.97 -25.51 66.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 2.4900000000000002 110.015 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 174.29 61.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 6.5 111.09 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 372' ' ' GLY . . . . . 0.463 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -168.31 -63.89 0.03 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.522 1.139 . . . . 2.8199999999999998 110.987 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 373' ' ' PHE . . . . . 0.629 ' CD1' ' NE2' ' A' ' 369' ' ' HIS . 46.0 t80 -32.59 95.43 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.59 0.818 . . . . 5.2199999999999998 110.979 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 374' ' ' PRO . . . . . 0.619 ' HD2' HG12 ' A' ' 377' ' ' VAL . 18.4 Cg_endo -75.02 -54.97 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 2.4700000000000002 111.025 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 375' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 374' ' ' PRO . 7.2 m-20 160.74 45.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 5.4400000000000004 109.276 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 376' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 377' ' ' VAL . 0.6 OUTLIER -178.99 -48.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 5.7400000000000002 111.003 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 377' ' ' VAL . . . . . 0.619 HG12 ' HD2' ' A' ' 374' ' ' PRO . 3.3 p -40.07 153.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 2.1699999999999999 109.267 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.54 -38.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 3.27 109.325 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.32 126.98 25.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 1.8899999999999999 109.363 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 13.9 mt -98.78 150.64 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.88 109.317 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.55 -44.95 7.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 2.3300000000000001 109.332 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 382' ' ' ALA . . . . . 0.818 ' HB2' ' HA ' ' A' ' 431' ' ' ALA . . . -161.15 161.98 31.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.75 109.323 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -151.46 127.1 10.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.64000000000000001 109.232 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . 0.703 HG13 HG13 ' A' ' 432' ' ' VAL . 22.0 m -136.51 139.18 45.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 2.3599999999999999 109.315 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -90.85 132.39 35.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 4.3700000000000001 110.946 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -109.19 108.65 60.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 2.6099999999999999 109.283 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.7 18.47 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.5 1.79 . . . . 1.97 111.02 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -76.44 -27.67 56.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 2.23 110.351 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -116.31 0.69 12.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 2.52 110.972 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 51.83 21.98 1.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 2.8799999999999999 110.958 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.03 155.83 39.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 3.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 91.6 m -111.89 125.55 54.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.76000000000000001 110.408 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . 0.428 ' N ' ' CD1' ' A' ' 393' ' ' TYR . 9.1 m-30 -78.83 126.98 31.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 1.6299999999999999 111.018 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -111.53 107.17 16.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 2.2400000000000002 110.973 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -89.03 115.49 26.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.39 1.056 . . . . 0.96999999999999997 110.964 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 396' ' ' VAL . . . . . 0.462 HG21 HG23 ' A' ' 377' ' ' VAL . 42.1 t -140.19 126.35 21.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 1.79 109.338 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 1.2 t70 52.3 -152.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 3.4700000000000002 109.323 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -88.08 49.66 1.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 3.5299999999999998 109.291 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -147.39 162.94 37.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 2.7400000000000002 110.365 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -129.43 105.59 8.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 2.3700000000000001 110.991 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 7.4 m-90 -100.49 172.78 6.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 5.4500000000000002 107.965 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 402' ' ' ARG . . . . . 0.412 ' NE ' ' CE1' ' A' ' 393' ' ' TYR . 7.7 ttm180 -154.92 126.38 7.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 3.6899999999999999 110.278 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 403' ' ' TYR . . . . . 0.572 ' CE1' ' O ' ' A' ' 404' ' ' ASP . 62.2 t80 -108.98 151.43 26.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 4.9800000000000004 110.983 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . 0.572 ' O ' ' CE1' ' A' ' 403' ' ' TYR . 0.3 OUTLIER -92.58 127.92 38.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 2.04 109.245 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -88.66 -52.86 4.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 3.27 110.295 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -60.83 -50.01 75.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.593 1.183 . . . . 8.1099999999999994 110.224 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.29 -40.32 67.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 2.8399999999999999 110.352 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 74.02 30.62 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 2.8700000000000001 110.328 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 9.5 tpt -134.77 116.43 14.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 2.6099999999999999 110.911 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 44.3 mtm -39.31 142.03 0.3 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 2.4100000000000001 110.965 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.72 141.26 97.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 3.1899999999999999 109.324 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 412' ' ' PRO . . . . . 0.532 ' O ' ' C ' ' A' ' 413' ' ' GLY . 18.2 Cg_endo -75.03 126.27 9.84 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.794 . . . . 3.7799999999999998 110.996 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 413' ' ' GLY . . . . . 0.532 ' C ' ' O ' ' A' ' 412' ' ' PRO . . . 25.87 91.37 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.505 1.128 . . . . 3.04 110.949 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 414' ' ' TYR . . . . . 0.507 ' CE1' ' HG3' ' A' ' 416' ' ' LYS . 1.0 OUTLIER -134.22 60.12 42.01 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 2.1400000000000001 111.016 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 415' ' ' PRO . . . . . 0.482 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -75.01 73.24 4.39 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.435 1.756 . . . . 1.98 111.029 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . 0.507 ' HG3' ' CE1' ' A' ' 414' ' ' TYR . 6.0 mmtt -98.11 173.63 6.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 2.4500000000000002 109.327 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.92 163.07 27.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 2.0800000000000001 109.301 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.528 HG22 HD11 ' A' ' 425' ' ' ILE . 2.8 mp -69.04 -77.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 1.05 109.315 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . 0.428 ' HB ' ' N ' ' A' ' 427' ' ' PRO . 7.5 t -40.03 -37.9 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 1.0800000000000001 110.388 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -62.78 -50.12 72.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 1.6599999999999999 109.292 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . 0.455 ' OD1' ' CE2' ' A' ' 422' ' ' PHE . 10.3 t-20 -58.39 -46.52 86.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.095 . . . . 2.3599999999999999 109.308 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 422' ' ' PHE . . . . . 0.49 ' O ' ' CD1' ' A' ' 425' ' ' ILE . 39.0 m-85 -148.06 126.02 12.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.384 1.053 . . . . 3.3799999999999999 110.982 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -92.23 119.58 31.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 2.3500000000000001 110.275 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . 0.658 ' HA3' HD11 ' A' ' 458' ' ' ILE . . . 150.2 -28.31 1.11 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.141 . . . . 1.52 111.001 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 425' ' ' ILE . . . . . 0.816 HG21 ' CD2' ' A' ' 442' ' ' PHE . 0.2 OUTLIER -96.15 -19.63 6.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 2.1299999999999999 109.254 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 91.4 170.59 42.4 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.5 1.125 . . . . 0.80000000000000004 111.049 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . 0.428 ' N ' ' HB ' ' A' ' 419' ' ' THR . 18.4 Cg_endo -74.94 -0.59 10.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 1.0900000000000001 111.084 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.82 133.2 45.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 2.9300000000000002 109.253 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 429' ' ' ILE . . . . . 0.664 HD11 ' CD1' ' A' ' 442' ' ' PHE . 6.7 tp -128.24 144.26 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 1.4399999999999999 109.263 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 430' ' ' ASP . 0.8 OUTLIER -93.55 -60.33 1.8 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.489 1.118 . . . . 3.1600000000000001 109.279 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.818 ' HA ' ' HB2' ' A' ' 382' ' ' ALA . . . -154.73 166.05 34.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.461 1.101 . . . . 0.76000000000000001 109.296 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 441' ' ' TYR . 6.6 p -158.12 143.64 8.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 2.1400000000000001 109.296 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 433' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 433' ' ' PHE . 5.6 p90 -142.46 123.0 14.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.095 . . . . 2.5699999999999998 110.965 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -85.88 88.87 7.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 3.6699999999999999 111.04 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . 0.585 ' CB ' HG21 ' A' ' 293' ' ' THR . 1.3 p -113.98 -14.83 12.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 2.3100000000000001 109.918 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 436' ' ' LYS . . . . . 0.483 ' HD3' ' CE1' ' A' ' 441' ' ' TYR . 0.2 OUTLIER -73.27 -167.12 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 4.0300000000000002 109.314 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -97.97 -50.68 4.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 4.2300000000000004 109.296 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . 0.502 ' HA ' ' CE ' ' A' ' 438' ' ' LYS . 0.0 OUTLIER -145.78 50.2 1.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 3.2999999999999998 109.356 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -143.33 162.49 35.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 2.6499999999999999 111.016 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -125.27 109.96 13.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 3.54 110.977 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 441' ' ' TYR . . . . . 0.844 ' O ' HG23 ' A' ' 432' ' ' VAL . 3.2 m-85 -89.52 125.1 35.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.423 1.077 . . . . 2.5099999999999998 110.988 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . 0.816 ' CD2' HG21 ' A' ' 425' ' ' ILE . 12.0 m-85 -125.23 146.98 49.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 3.3700000000000001 111.054 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 443' ' ' PHE . . . . . 0.562 ' CZ ' ' HG3' ' A' ' 448' ' ' GLN . 0.2 OUTLIER -123.68 118.73 27.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 3.9900000000000002 111.025 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . 0.531 ' OE1' HD12 ' A' ' 429' ' ' ILE . 1.1 pm0 -145.96 91.03 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 6.2300000000000004 110.267 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 445' ' ' GLY . . . . . 0.458 ' O ' ' ND2' ' A' ' 447' ' ' ASN . . . 81.29 67.3 1.54 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.47 1.106 . . . . 3.8999999999999999 110.976 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 96.8 p 42.24 30.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.75 . . . . 1.75 110.009 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 447' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 445' ' ' GLY . 78.8 m-20 -123.2 119.1 29.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 2.2999999999999998 109.308 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 448' ' ' GLN . . . . . 0.562 ' HG3' ' CZ ' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -106.44 100.28 9.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 3.5099999999999998 110.259 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 449' ' ' PHE . . . . . 0.464 ' HD2' HG21 ' A' ' 458' ' ' ILE . 11.2 m-85 -107.7 146.86 31.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 2.7799999999999998 110.99 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.44 143.08 48.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 4.0800000000000001 110.303 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 451' ' ' TYR . . . . . 0.469 ' CE2' ' HB3' ' A' ' 422' ' ' PHE . 3.3 t80 -117.45 123.37 46.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 3.1299999999999999 110.99 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -103.7 111.64 24.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.148 . . . . 3.1499999999999999 109.323 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -63.51 -12.26 30.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 3.6200000000000001 111.025 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . 0.637 HD23 ' CD2' ' A' ' 455' ' ' LEU . 11.2 tp -54.96 -32.68 61.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 2.25 109.27 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.637 ' CD2' HD23 ' A' ' 454' ' ' LEU . 0.7 OUTLIER -173.55 37.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 2.1400000000000001 109.209 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . 0.457 ' HA ' ' CE1' ' A' ' 451' ' ' TYR . 5.0 pm0 36.66 64.69 0.54 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 4.8399999999999999 110.283 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -127.02 125.58 41.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 3.2599999999999998 110.269 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 458' ' ' ILE . . . . . 0.658 HD11 ' HA3' ' A' ' 424' ' ' GLY . 54.0 mt -90.69 106.4 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 1.6699999999999999 109.337 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 58.3 p -113.01 36.87 3.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.406 1.066 . . . . 2.5499999999999998 110.467 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -156.66 116.63 3.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 3.7000000000000002 109.288 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 23.2 p -149.48 87.11 1.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 2.23 110.389 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 462' ' ' LEU . . . . . 0.622 HD12 ' CB ' ' A' ' 466' ' ' SER . 1.1 pt? -121.78 177.34 5.31 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.538 1.149 . . . . 1.99 109.296 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 463' ' ' LYS . . . . . 0.449 ' O ' ' CB ' ' A' ' 466' ' ' SER . 0.0 OUTLIER -111.6 155.71 22.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 2.8199999999999998 109.299 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.04 -52.68 2.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 2.1299999999999999 110.012 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -76.95 55.94 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.594 1.184 . . . . 3.52 109.257 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . 0.622 ' CB ' HD12 ' A' ' 462' ' ' LEU . 49.6 m -133.5 52.65 2.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 3.27 110.049 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 467' ' ' TRP . . . . . 0.449 ' CD1' ' O ' ' A' ' 466' ' ' SER . 0.1 OUTLIER -175.08 -42.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 5.6500000000000004 108.043 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 468' ' ' PHE . . . . . 0.5 ' CE2' ' HB3' ' A' ' 281' ' ' LEU . 2.2 t80 -67.13 -39.85 86.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.531 1.145 . . . . 7.2400000000000002 111.025 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 93.9 80.33 1.48 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.513 1.133 . . . . 2.3900000000000001 110.988 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 470' ' ' CYS . . . . . 1.081 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 1.5 t . . . . . 0 C--N 1.325 -0.497 0 N-CA-C 108.326 -0.99 . . . . 6.9699999999999998 108.326 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 471' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 277' ' ' MET . . . . . 0.483 ' HA ' HG11 ' A' ' 318' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.558 0.218 . . . . 10.02 111.048 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . 0.528 ' N ' ' CD ' ' A' ' 279' ' ' PRO . 4.9 mt-10 -39.9 -50.06 5.76 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 9.0 110.273 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 279' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 278' ' ' GLU . 18.4 Cg_endo -74.97 124.69 8.82 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.503 1.791 . . . . 4.2199999999999998 110.991 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 280' ' ' ALA . . . . . . . . . . . . . . . -90.63 167.6 12.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 3.6899999999999999 109.316 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 281' ' ' LEU . . . . . 1.116 HD11 ' CZ3' ' A' ' 307' ' ' TRP . 0.0 OUTLIER -111.14 23.45 14.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 3.5 109.294 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 282' ' ' CYS . . . . . . . . . . . . . 10.2 t -115.38 32.7 5.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 2.9100000000000001 108.221 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 283' ' ' ASP . . . . . 0.412 ' HB3' ' OD1' ' A' ' 285' ' ' ASN . 3.9 m-20 -165.84 145.33 5.25 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 3.3399999999999999 109.271 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 81.62 2.17 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 1.98 111.009 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 285' ' ' ASN . . . . . 0.412 ' OD1' ' HB3' ' A' ' 283' ' ' ASP . 0.2 OUTLIER -173.67 41.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 2.79 109.343 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 286' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 281' ' ' LEU . 0.4 OUTLIER -118.92 154.59 32.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.446 1.092 . . . . 2.7000000000000002 109.307 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 287' ' ' SER . . . . . 0.45 ' H ' HD23 ' A' ' 286' ' ' LEU . 59.0 p -145.71 167.57 22.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 1.4299999999999999 110.036 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -130.04 173.05 11.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 3.0699999999999998 111.031 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.34 -49.83 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 2.9199999999999999 109.278 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . 0.539 ' HA ' ' HB2' ' A' ' 431' ' ' ALA . . . -138.1 152.6 48.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.89000000000000001 109.342 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 291' ' ' VAL . . . . . 0.485 HG23 ' HB3' ' A' ' 431' ' ' ALA . 55.8 t -141.05 159.78 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 2.2000000000000002 109.326 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . 0.425 ' CG2' ' N ' ' A' ' 293' ' ' THR . 0.8 OUTLIER -152.89 164.45 37.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 1.75 110.397 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 293' ' ' THR . . . . . 0.425 ' N ' ' CG2' ' A' ' 292' ' ' THR . 11.6 t -137.84 144.44 41.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 2.21 110.415 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 294' ' ' VAL . . . . . 0.701 HG22 ' CD ' ' A' ' 337' ' ' GLU . 70.0 t -144.7 67.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 2.1600000000000001 109.273 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 93.94 -108.96 3.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.132 . . . . 2.8300000000000001 111.004 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -109.83 12.91 23.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 0.756 . . . . 3.0499999999999998 109.279 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.872 ' HA ' HG21 ' A' ' 310' ' ' VAL . 7.1 mtmm -107.88 152.35 24.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 2.7999999999999998 109.348 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 2.5 pt -133.22 132.44 58.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 2.21 109.278 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 299' ' ' PHE . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 301' ' ' PHE . 52.9 m-85 -114.18 150.96 33.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 2.71 111.001 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 300' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -142.54 132.79 24.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 2.5499999999999998 110.969 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 301' ' ' PHE . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 299' ' ' PHE . 0.1 OUTLIER -134.48 171.63 14.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 2.8399999999999999 110.949 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 302' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 303' ' ' ASP . 3.9 tptp -145.59 -113.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 4.7699999999999996 109.286 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 303' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 302' ' ' LYS . 71.2 m-20 -77.62 -79.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 2.9300000000000002 109.258 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.64 -24.59 6.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.078 . . . . 3.9399999999999999 110.286 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . 0.569 ' CE1' HD12 ' A' ' 320' ' ' LEU . 74.3 m-85 -94.71 147.9 22.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 2.77 111.05 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 306' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' A' ' 318' ' ' VAL . 6.1 p90 -128.3 143.84 51.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 1.6100000000000001 111.027 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 307' ' ' TRP . . . . . 1.116 ' CZ3' HD11 ' A' ' 281' ' ' LEU . 52.1 m95 -106.66 149.07 27.61 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.013 -1.106 . . . . 4.7699999999999996 108.013 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 46.2 tp -143.62 130.81 20.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.172 . . . . 2.6600000000000001 109.298 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 309' ' ' LYS . . . . . 0.52 ' HD3' HG22 ' A' ' 316' ' ' THR . 22.4 tptp -152.3 102.36 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 2.0299999999999998 109.234 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . 0.872 HG21 ' HA ' ' A' ' 297' ' ' LYS . 3.8 p -176.81 -178.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.484 1.115 . . . . 2.25 109.353 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . 0.712 ' H ' HG22 ' A' ' 310' ' ' VAL . 14.3 t 45.81 87.56 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.528 1.142 . . . . 4.3200000000000003 109.96 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 312' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 311' ' ' SER . 4.6 tt0 32.33 77.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.562 1.163 . . . . 4.8399999999999999 110.318 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -116.75 128.63 25.88 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 4.3600000000000003 110.286 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -34.4 3.84 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.559 1.82 . . . . 1.8799999999999999 110.995 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.1 172.49 18.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 4.4299999999999997 109.301 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . 0.86 ' OG1' HD13 ' A' ' 281' ' ' LEU . 70.0 p -81.24 172.24 13.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.129 . . . . 1.1699999999999999 110.42 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.36 137.08 15.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 2.1800000000000002 109.999 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 318' ' ' VAL . . . . . 0.58 ' HB ' ' CE3' ' A' ' 307' ' ' TRP . 7.2 p -121.02 120.03 61.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 3.5499999999999998 109.276 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -133.05 179.2 6.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 3.5299999999999998 109.299 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.569 HD12 ' CE1' ' A' ' 305' ' ' PHE . 0.3 OUTLIER -86.87 149.14 25.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 1.8600000000000001 109.311 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 321' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 324' ' ' LEU . 11.0 mt -64.44 -63.17 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 1.47 109.318 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 14.4 m -45.26 -37.71 4.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 1.71 109.974 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.03 -37.98 69.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.6699999999999999 109.989 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 321' ' ' ILE . 7.8 tp -93.1 -74.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 3.9399999999999999 109.268 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.63 159.62 83.0 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 1.6599999999999999 107.978 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -79.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.406 1.74 . . . . 1.27 111.01 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 327' ' ' THR . . . . . 0.693 ' O ' HD22 ' A' ' 328' ' ' LEU . 0.1 OUTLIER -123.33 94.21 4.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 1.79 110.475 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.693 HD22 ' O ' ' A' ' 327' ' ' THR . 1.5 mm? -126.58 154.19 75.39 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 1.1799999999999999 109.311 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 329' ' ' PRO . . . . . 0.426 ' HD2' HD13 ' A' ' 328' ' ' LEU . 18.5 Cg_endo -74.9 130.04 13.0 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.521 1.8 . . . . 1.95 110.994 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 1.3 m -85.27 138.85 32.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 2.4199999999999999 110.021 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . 93.27 41.93 4.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.145 . . . . 1.3799999999999999 111.012 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 21.4 mt -49.2 129.69 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 1.8300000000000001 109.321 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.27 -29.55 11.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 3.1000000000000001 110.292 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -158.72 125.72 4.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.85999999999999999 109.29 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -121.89 126.92 49.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.81999999999999995 109.279 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 336' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -131.05 101.79 5.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 3.98 110.984 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 337' ' ' GLU . . . . . 0.701 ' CD ' HG22 ' A' ' 294' ' ' VAL . 0.1 OUTLIER -105.05 135.34 46.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 3.8700000000000001 110.322 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 338' ' ' ILE . 6.8 tp -118.24 132.02 69.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 4.1299999999999999 109.35 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -96.78 17.52 16.44 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.566 1.166 . . . . 3.5600000000000001 110.322 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -77.98 -52.78 8.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.591 1.182 . . . . 1.6499999999999999 109.275 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 341' ' ' ARG . . . . . 0.431 ' CG ' ' HG2' ' A' ' 343' ' ' GLN . 0.6 OUTLIER -105.88 0.38 25.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 3.5899999999999999 110.291 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 35.2 t30 68.25 51.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 2.0099999999999998 109.28 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . 0.449 HE21 ' N ' ' A' ' 344' ' ' VAL . 0.0 OUTLIER -119.67 168.21 11.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.123 . . . . 4.2300000000000004 110.271 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 344' ' ' VAL . . . . . 0.449 ' N ' HE21 ' A' ' 343' ' ' GLN . 15.7 t -138.96 130.68 36.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.516 1.135 . . . . 1.6200000000000001 109.331 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 345' ' ' PHE . . . . . 0.415 ' CZ ' ' HB2' ' A' ' 347' ' ' PHE . 23.5 t80 -123.77 130.21 52.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 5.9400000000000004 111.014 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' A' ' 346' ' ' LEU . 3.2 mm? -125.39 110.18 13.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 1.3999999999999999 109.299 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 347' ' ' PHE . . . . . 0.415 ' HB2' ' CZ ' ' A' ' 345' ' ' PHE . 3.3 t80 -90.51 145.11 25.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 6.1100000000000003 111.047 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 348' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.6 OUTLIER -161.05 114.9 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 4.4000000000000004 109.29 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 61.13 -144.77 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 3.75 109.279 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 350' ' ' ASP . . . . . 0.479 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 19.1 p-10 -89.2 36.45 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 2.98 109.258 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 4.7 mtmt -156.09 154.02 30.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 1.6599999999999999 109.262 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 352' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 366' ' ' LYS . 5.5 p90 -145.55 133.8 21.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 2.5600000000000001 111.026 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 -91.66 164.15 13.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 3.7000000000000002 108.072 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 354' ' ' LEU . . . . . 0.751 ' C ' HD13 ' A' ' 354' ' ' LEU . 1.7 tm? -127.4 111.39 13.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 2.8599999999999999 109.266 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.564 HD11 HD11 ' A' ' 328' ' ' LEU . 1.9 mp -91.3 110.83 22.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.165 . . . . 1.3799999999999999 109.279 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 356' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' A' ' 357' ' ' ASN . 52.3 p -99.17 104.16 16.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 2.98 109.969 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 357' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 356' ' ' SER . 12.1 m-20 78.11 -56.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 3.1299999999999999 109.252 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . 0.773 HD23 ' HG2' ' A' ' 359' ' ' ARG . 0.1 OUTLIER -162.77 -49.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 4.9100000000000001 109.26 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 359' ' ' ARG . . . . . 0.773 ' HG2' HD23 ' A' ' 358' ' ' LEU . 0.0 OUTLIER -88.61 120.08 70.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 4.4400000000000004 110.261 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 360' ' ' PRO . . . . . 0.448 ' HG3' HD21 ' A' ' 328' ' ' LEU . 18.4 Cg_endo -75.02 144.81 30.61 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.522 1.801 . . . . 1.3999999999999999 111.042 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -49.94 128.96 21.65 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 3.1200000000000001 110.27 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 139.72 24.48 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.556 1.819 . . . . 2.0699999999999998 111.001 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 363' ' ' ASN . . . . . 0.426 ' C ' ' HD3' ' A' ' 365' ' ' PRO . 2.6 m-80 61.06 62.33 1.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 4.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 364' ' ' TYR . . . . . 0.589 ' CE2' ' HD3' ' A' ' 366' ' ' LYS . 0.4 OUTLIER -134.46 55.76 15.76 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 3.1099999999999999 111.003 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . 0.551 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -75.03 46.82 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.528 1.804 . . . . 1.1799999999999999 110.979 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 366' ' ' LYS . . . . . 0.589 ' HD3' ' CE2' ' A' ' 364' ' ' TYR . 0.1 OUTLIER -49.04 151.45 1.29 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 1.8600000000000001 109.332 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 367' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 350' ' ' ASP . 0.7 OUTLIER -130.67 125.93 35.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 2.48 109.979 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . 0.442 HG23 ' CD1' ' A' ' 352' ' ' TYR . 3.7 pt -60.3 -32.36 50.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.56 1.163 . . . . 1.6100000000000001 109.293 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -21.4 64.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 2.96 109.612 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.21 -8.71 41.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 2.3599999999999999 110.036 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 175.48 58.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 6.3600000000000003 110.997 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 372' ' ' GLY . . . . . 0.485 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -165.49 -66.19 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.429 1.08 . . . . 2.7999999999999998 111.023 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 373' ' ' PHE . . . . . 0.574 ' CZ ' ' O ' ' A' ' 375' ' ' ASN . 62.0 t80 -30.96 94.49 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 4.6699999999999999 111.047 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 374' ' ' PRO . . . . . 0.466 ' N ' ' O ' ' A' ' 372' ' ' GLY . 18.4 Cg_endo -74.99 -61.86 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.527 1.804 . . . . 2.7999999999999998 111.038 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 375' ' ' ASN . . . . . 0.574 ' O ' ' CZ ' ' A' ' 373' ' ' PHE . 44.3 t-20 -119.74 -70.81 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 4.8799999999999999 109.297 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -145.84 66.21 1.21 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 5.3899999999999997 110.995 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 377' ' ' VAL . . . . . . . . . . . . . 71.1 t -112.3 155.29 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 2.5899999999999999 109.297 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.9 -36.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 2.8399999999999999 109.316 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -116.48 120.34 38.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 1.78 109.35 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 30.3 mt -105.43 158.35 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 1.23 109.278 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 381' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 430' ' ' ASP . 0.5 OUTLIER -96.21 -45.01 7.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 2.1299999999999999 109.272 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 382' ' ' ALA . . . . . 0.589 ' HB2' ' HA ' ' A' ' 431' ' ' ALA . . . -156.75 166.9 32.06 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.547 1.154 . . . . 0.63 109.336 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -157.63 126.35 5.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.67000000000000004 109.262 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 27.5 m -138.86 150.7 23.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.533 1.146 . . . . 2.4399999999999999 109.308 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 385' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -100.38 155.72 17.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 1.9399999999999999 111.046 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 386' ' ' ASN . . . . . 0.457 ' ND2' ' CE1' ' A' ' 393' ' ' TYR . 5.8 m-20 -135.55 113.42 11.05 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 3.0699999999999998 109.276 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 387' ' ' PRO . . . . . 0.457 ' HD3' ' CE2' ' A' ' 434' ' ' TYR . 18.3 Cg_endo -75.08 -12.54 21.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.452 1.764 . . . . 2.0800000000000001 110.979 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.46 -34.0 31.69 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.492 1.12 . . . . 2.1800000000000002 110.287 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -110.55 0.03 17.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 3.1200000000000001 110.929 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 50.04 30.68 4.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 2.8199999999999998 111.02 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 21.8 mtt180 -135.77 158.94 43.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 3.8199999999999998 110.317 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 392' ' ' THR . . . . . . . . . . . . . 28.3 m -106.02 124.19 49.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.95999999999999996 110.419 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . 0.457 ' CE1' ' ND2' ' A' ' 386' ' ' ASN . 5.7 m-85 -82.18 122.19 27.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 2.0 110.939 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -112.66 116.48 30.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 2.1899999999999999 111.06 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . 0.651 ' HE2' HG11 ' A' ' 432' ' ' VAL . 21.3 m-85 -97.24 115.16 27.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.432 1.083 . . . . 1.3799999999999999 110.96 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 98.7 t -135.79 123.66 36.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 1.5800000000000001 109.287 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 54.58 -151.95 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.431 1.082 . . . . 3.1800000000000002 109.262 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . 0.408 ' O ' ' OD1' ' A' ' 398' ' ' ASN . 7.2 p30 -88.62 42.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 3.3300000000000001 109.324 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 399' ' ' GLN . . . . . 0.466 ' O ' HD11 ' A' ' 418' ' ' ILE . 2.3 mt-30 -141.62 163.14 33.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 2.5099999999999998 110.26 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -127.3 113.19 15.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 2.2400000000000002 111.011 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -109.49 155.63 21.1 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.043 -1.095 . . . . 5.5199999999999996 108.043 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 -143.25 130.51 20.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 3.0699999999999998 110.275 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 403' ' ' TYR . . . . . 0.459 ' CD1' ' HB2' ' A' ' 410' ' ' MET . 19.8 m-30 -113.37 157.6 21.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 8.2100000000000009 110.992 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.23 121.08 31.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 2.96 109.271 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.63 -56.25 3.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 2.48 110.346 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 4.0 ppt_? -59.97 -35.24 74.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 6.3600000000000003 110.292 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -87.96 -38.44 15.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 3.1800000000000002 110.253 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 77.05 40.12 0.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 2.3300000000000001 110.391 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 11.0 tpp -138.05 92.21 2.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 2.6499999999999999 110.949 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 410' ' ' MET . . . . . 0.459 ' HB2' ' CD1' ' A' ' 403' ' ' TYR . 0.0 OUTLIER -53.98 136.09 41.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 1.98 110.954 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.69 113.36 55.4 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 3.2200000000000002 109.335 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -55.19 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.541 1.811 . . . . 3.96 110.942 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . -75.8 65.81 2.5 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.438 1.086 . . . . 2.6099999999999999 111.021 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 414' ' ' TYR . . . . . 0.427 ' N ' ' HD3' ' A' ' 415' ' ' PRO . 37.2 t80 -135.29 62.42 50.57 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 3.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 415' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.4 Cg_endo -74.99 106.13 2.22 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 2.4700000000000002 110.993 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -135.86 -179.19 5.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.565 1.166 . . . . 2.4700000000000002 109.297 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . 0.456 HD13 ' HD2' ' A' ' 420' ' ' LYS . 0.1 OUTLIER -131.97 145.99 51.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.136 . . . . 1.8799999999999999 109.335 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.565 HD12 ' O ' ' A' ' 427' ' ' PRO . 3.5 mt -70.65 -48.84 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 1.28 109.284 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . 0.425 HG22 HD23 ' A' ' 417' ' ' LEU . 1.4 t -67.1 -35.96 80.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 1.4399999999999999 110.414 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . 0.456 ' HD2' HD13 ' A' ' 417' ' ' LEU . 47.1 mttt -66.18 -62.73 1.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 2.1499999999999999 109.283 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . 0.515 ' ND2' ' CE2' ' A' ' 422' ' ' PHE . 42.8 t30 -51.81 -50.12 61.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 2.27 109.354 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 422' ' ' PHE . . . . . 0.515 ' CE2' ' ND2' ' A' ' 421' ' ' ASN . 61.7 m-85 -123.76 98.82 5.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 2.4500000000000002 111.019 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -86.78 110.65 20.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 3.5 110.291 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 149.75 -29.88 1.14 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 1.49 111.024 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 425' ' ' ILE . . . . . 0.688 HG21 ' CG ' ' A' ' 442' ' ' PHE . 14.2 pt -88.37 -34.27 6.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.531 0.783 . . . . 2.4100000000000001 109.304 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 115.06 -179.72 18.36 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.468 1.105 . . . . 0.92000000000000004 110.987 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . 0.565 ' O ' HD12 ' A' ' 418' ' ' ILE . 18.2 Cg_endo -74.97 -34.55 3.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.529 1.805 . . . . 1.5700000000000001 111.042 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.31 147.2 40.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 3.1699999999999999 109.335 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 429' ' ' ILE . . . . . 0.526 HG21 ' CD2' ' A' ' 395' ' ' PHE . 5.1 tp -139.42 107.82 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 2.0699999999999998 109.307 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 381' ' ' ASP . 8.7 m-20 -44.95 -67.4 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 2.23 109.326 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.589 ' HA ' ' HB2' ' A' ' 382' ' ' ALA . . . -146.79 163.3 36.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 1.03 109.297 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.651 HG11 ' HE2' ' A' ' 395' ' ' PHE . 2.3 p -160.11 149.77 6.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.137 . . . . 1.98 109.235 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 433' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 441' ' ' TYR . 1.9 p90 -138.11 146.41 42.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 3.5099999999999998 111.005 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 434' ' ' TYR . . . . . 0.457 ' CE2' ' HD3' ' A' ' 387' ' ' PRO . 4.2 t80 -105.15 98.12 7.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 3.4100000000000001 110.949 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.69 -166.62 2.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 3.8599999999999999 110.03 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 436' ' ' LYS . . . . . 0.419 ' HG3' ' CE1' ' A' ' 441' ' ' TYR . 30.6 mmtm 75.64 -141.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 6.5700000000000003 109.341 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 437' ' ' ASN . . . . . 0.457 ' O ' ' CD2' ' A' ' 439' ' ' TYR . 3.4 m-80 -112.94 98.83 7.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 5.4699999999999998 109.363 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 437' ' ' ASN . 1.3 tppp? 38.83 41.09 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 3.3900000000000001 109.295 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 439' ' ' TYR . . . . . 0.457 ' CD2' ' O ' ' A' ' 437' ' ' ASN . 8.0 m-85 -124.71 142.66 51.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 3.1099999999999999 110.953 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 440' ' ' TYR . . . . . 0.445 ' HB3' ' CE1' ' A' ' 442' ' ' PHE . 44.6 m-85 -115.15 119.26 35.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.179 . . . . 3.0499999999999998 110.947 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 441' ' ' TYR . . . . . 0.578 ' HB2' ' CE2' ' A' ' 433' ' ' PHE . 7.5 m-85 -98.41 117.11 32.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 2.7999999999999998 110.983 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . 0.688 ' CG ' HG21 ' A' ' 425' ' ' ILE . 90.5 m-85 -110.53 130.14 55.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 3.5899999999999999 110.97 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 443' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -109.63 110.79 21.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 4.9900000000000002 110.986 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -133.88 69.04 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 3.1800000000000002 110.285 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 116.37 -111.95 2.47 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.505 1.128 . . . . 2.3199999999999998 110.963 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 81.8 p -126.58 39.36 3.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 1.9299999999999999 109.95 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -150.76 143.0 24.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 2.5600000000000001 109.326 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 448' ' ' GLN . . . . . 0.441 ' CG ' ' HB3' ' A' ' 462' ' ' LEU . 12.6 pt20 -123.77 105.52 9.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 3.46 110.316 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 449' ' ' PHE . . . . . 0.623 ' HD1' HG21 ' A' ' 458' ' ' ILE . 55.5 m-85 -83.56 151.88 25.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 2.6099999999999999 111.021 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 0.481 ' OE1' ' CZ ' ' A' ' 441' ' ' TYR . 2.5 tt0 -113.97 92.12 3.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 4.1100000000000003 110.322 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 451' ' ' TYR . . . . . 0.493 ' CD2' HG13 ' A' ' 458' ' ' ILE . 1.1 t80 -83.19 114.24 21.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 3.1899999999999999 111.034 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.71 139.54 37.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 3.7400000000000002 109.307 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -72.08 -8.5 54.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.584 1.178 . . . . 3.8199999999999998 111.035 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 20.1 tp -45.1 -37.17 4.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 2.3599999999999999 109.249 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -169.56 37.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.155 . . . . 2.2400000000000002 109.325 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 39.26 57.47 2.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 4.2800000000000002 110.318 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.77 138.6 27.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 4.29 110.272 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 458' ' ' ILE . . . . . 0.623 HG21 ' HD1' ' A' ' 449' ' ' PHE . 21.0 mt -81.7 110.63 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.581 1.176 . . . . 1.99 109.294 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 15.1 t -95.69 -32.08 12.93 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.47 1.107 . . . . 2.98 110.389 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.02 141.63 47.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 2.9300000000000002 109.219 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . 0.534 HG23 ' CD1' ' A' ' 449' ' ' PHE . 96.3 m -144.88 105.14 4.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 2.54 110.39 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 462' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 466' ' ' SER . 32.7 tp -100.53 160.93 13.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 3.4199999999999999 109.263 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 463' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 466' ' ' SER . 0.0 OUTLIER -107.47 131.29 54.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 4.2199999999999998 109.302 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 463' ' ' LYS . 37.1 p -35.96 -38.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 2.6800000000000002 110.059 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -101.73 56.06 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 2.8199999999999998 109.266 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . 0.47 ' HB3' ' CD1' ' A' ' 462' ' ' LEU . 1.9 t -146.97 61.55 1.19 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 3.0499999999999998 109.985 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -171.57 -42.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 4.9900000000000002 107.996 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 468' ' ' PHE . . . . . 0.507 ' N ' ' CD1' ' A' ' 468' ' ' PHE . 1.2 m-30 -72.34 -24.55 61.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 6.1500000000000004 110.958 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 98.5 57.29 1.0 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 2.5699999999999998 111.068 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 N-CA-C 108.296 -1.002 . . . . 3.27 108.296 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 471' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 277' ' ' MET . . . . . 0.471 ' HB2' HG11 ' A' ' 318' ' ' VAL . 36.5 mmt . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.482 0.182 . . . . 8.1899999999999995 110.982 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 39.68 80.3 0.28 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 9.0299999999999994 110.332 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 279' ' ' PRO . . . . . 0.412 ' O ' ' HB2' ' A' ' 280' ' ' ALA . 18.4 Cg_endo -74.98 -58.73 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.446 1.761 . . . . 4.6799999999999997 110.996 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 280' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 279' ' ' PRO . . . -179.9 -37.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.098 . . . . 5.7699999999999996 109.38 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 281' ' ' LEU . . . . . 0.964 HD11 ' OG1' ' A' ' 316' ' ' THR . 0.2 OUTLIER 52.55 22.98 2.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 4.1600000000000001 109.302 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 282' ' ' CYS . . . . . 1.058 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 3.8 t -173.65 44.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 4.2000000000000002 108.306 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.03 134.41 1.16 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 4.4100000000000001 109.282 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 284' ' ' PRO . . . . . 0.457 ' HB3' ' CB ' ' A' ' 463' ' ' LYS . 18.2 Cg_endo -75.01 69.68 5.5 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.494 1.786 . . . . 2.3799999999999999 110.987 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -132.81 19.96 4.18 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.516 1.135 . . . . 4.2999999999999998 109.297 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 286' ' ' LEU . . . . . . . . . . . . . 4.4 tp -109.46 164.53 12.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 2.71 109.281 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 14.4 p -144.12 178.29 7.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 1.96 109.996 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 288' ' ' PHE . . . . . 0.752 ' CE2' ' CD1' ' A' ' 300' ' ' PHE . 19.8 m-85 -140.19 171.59 13.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 2.7200000000000002 110.982 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -141.89 -51.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 3.3999999999999999 109.289 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -147.61 130.1 15.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 1.01 109.285 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 291' ' ' VAL . . . . . 0.658 HG12 ' HB1' ' A' ' 431' ' ' ALA . 1.9 p -141.89 145.73 23.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 2.4900000000000002 109.289 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . 0.702 ' HB ' ' HB3' ' A' ' 335' ' ' ALA . 9.1 t -147.98 126.9 12.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 1.52 110.344 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 293' ' ' THR . . . . . 0.449 HG21 ' O ' ' A' ' 434' ' ' TYR . 12.7 t -90.57 155.65 18.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 2.0699999999999998 110.418 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 294' ' ' VAL . . . . . 0.641 ' O ' HG23 ' A' ' 294' ' ' VAL . 28.6 m -145.84 82.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 3.4900000000000002 109.33 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . 0.431 ' CA ' ' OE1' ' A' ' 339' ' ' GLU . . . 85.97 -106.71 3.08 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.51 1.131 . . . . 2.1499999999999999 110.996 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -113.28 3.72 16.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 0.776 . . . . 3.6200000000000001 109.289 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.514 ' HA ' HG11 ' A' ' 310' ' ' VAL . 1.8 mtpp -112.53 131.34 55.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 2.6499999999999999 109.286 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 298' ' ' ILE . . . . . 0.655 HD12 ' HB ' ' A' ' 310' ' ' VAL . 1.3 mt -107.88 126.1 64.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 2.4700000000000002 109.257 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 299' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -103.98 87.66 2.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 2.77 110.99 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 300' ' ' PHE . . . . . 0.752 ' CD1' ' CE2' ' A' ' 288' ' ' PHE . 0.4 OUTLIER -86.44 128.13 34.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 6.4199999999999999 111.042 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 301' ' ' PHE . . . . . 0.415 ' N ' ' CD1' ' A' ' 300' ' ' PHE . 94.9 m-85 -113.17 151.58 30.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 2.4700000000000002 110.996 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 302' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 305' ' ' PHE . 24.4 tptp -144.78 89.99 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 3.3900000000000001 109.288 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 303' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 331' ' ' GLY . 3.0 m-20 63.76 -85.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 3.3300000000000001 109.289 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 304' ' ' ARG . . . . . 0.443 ' O ' HD12 ' A' ' 321' ' ' ILE . 0.0 OUTLIER -120.78 -28.6 4.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.393 1.058 . . . . 4.5199999999999996 110.315 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . 0.506 ' HB3' ' CH2' ' A' ' 307' ' ' TRP . 65.5 m-85 -93.52 149.32 21.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 3.27 110.935 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 306' ' ' PHE . . . . . 0.545 ' C ' ' CD1' ' A' ' 306' ' ' PHE . 2.1 p90 -135.62 160.82 37.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 1.5800000000000001 110.988 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 307' ' ' TRP . . . . . 0.624 ' CD1' ' O ' ' A' ' 317' ' ' SER . 8.5 m-90 -137.59 127.55 25.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 4.46 107.983 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 298' ' ' ILE . 0.2 OUTLIER -124.51 125.74 44.71 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.502 1.126 . . . . 3.04 109.297 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 309' ' ' LYS . . . . . 0.78 ' HG2' HG22 ' A' ' 316' ' ' THR . 0.0 OUTLIER -170.19 136.52 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 4.2300000000000004 109.306 179.896 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . 0.734 HG13 ' H ' ' A' ' 311' ' ' SER . 0.8 OUTLIER -176.98 -77.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.157 . . . . 3.2999999999999998 109.272 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . 0.734 ' H ' HG13 ' A' ' 310' ' ' VAL . 9.4 t -29.07 -90.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 4.0 110.048 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -114.43 -29.58 6.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 5.25 110.261 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 45.5 mtt85 -39.06 101.08 0.22 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 4.8899999999999997 110.335 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 -24.33 13.17 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.507 1.793 . . . . 3.0600000000000001 111.062 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -125.35 146.92 49.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 3.3599999999999999 109.309 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . 0.964 ' OG1' HD11 ' A' ' 281' ' ' LEU . 76.2 p -74.73 137.56 42.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.12 . . . . 1.3899999999999999 110.374 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . 0.624 ' O ' ' CD1' ' A' ' 307' ' ' TRP . 4.9 t -81.2 161.96 23.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 2.2999999999999998 110.025 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 318' ' ' VAL . . . . . 0.615 HG22 ' HE1' ' A' ' 307' ' ' TRP . 6.7 t -131.91 109.78 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 3.0899999999999999 109.313 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -153.21 176.58 11.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 2.27 109.309 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -109.12 157.24 18.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 1.71 109.308 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 321' ' ' ILE . . . . . 0.443 HD12 ' O ' ' A' ' 304' ' ' ARG . 5.3 mt -60.38 -71.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 1.1899999999999999 109.334 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 322' ' ' SER . . . . . . . . . . . . . 16.0 m -41.36 -48.57 3.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 1.9399999999999999 110.017 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 1.1 m -39.77 -36.64 0.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 1.8600000000000001 110.014 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.97 -87.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 2.02 109.259 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -43.1 153.23 0.35 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 1.78 108.04 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 326' ' ' PRO . . . . . 0.4 ' HG2' ' CD ' ' A' ' 360' ' ' PRO . 18.2 Cg_endo -75.04 -69.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 1.05 110.954 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 327' ' ' THR . . . . . 0.788 ' O ' HD22 ' A' ' 328' ' ' LEU . 0.5 OUTLIER -128.57 96.67 4.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 1.48 110.391 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.788 HD22 ' O ' ' A' ' 327' ' ' THR . 1.9 mm? -133.72 140.36 36.42 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 1.25 109.327 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 329' ' ' PRO . . . . . 0.659 ' HD2' HD13 ' A' ' 328' ' ' LEU . 18.3 Cg_endo -74.93 118.16 5.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.483 1.781 . . . . 2.02 110.979 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 2.6 p -67.86 147.8 52.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 2.4700000000000002 109.948 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 303' ' ' ASP . . . 75.53 50.95 7.63 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.464 1.102 . . . . 1.3200000000000001 111.035 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 8.7 mt -50.9 136.63 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 0.723 . . . . 1.6200000000000001 109.321 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -79.69 -33.01 41.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 2.7400000000000002 110.312 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -177.6 143.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 1.0700000000000001 109.298 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . 0.702 ' HB3' ' HB ' ' A' ' 292' ' ' THR . . . -114.99 126.42 54.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 1.5600000000000001 109.304 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 336' ' ' TYR . . . . . 0.595 ' C ' ' CD1' ' A' ' 336' ' ' TYR . 0.0 OUTLIER -139.95 103.4 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 3.54 110.967 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 337' ' ' GLU . . . . . 0.681 ' CB ' ' HA ' ' A' ' 344' ' ' VAL . 1.2 mm-40 -160.58 -176.04 5.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 7.9299999999999997 110.263 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . 0.596 HD11 ' HD2' ' A' ' 385' ' ' PHE . 3.6 mm -133.99 162.33 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 4.9299999999999997 109.327 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . 0.473 ' N ' ' CG2' ' A' ' 338' ' ' ILE . 10.0 pt-20 -89.06 -36.2 15.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 4.7199999999999998 110.326 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -48.08 -27.04 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 3.0299999999999998 109.29 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -95.13 -23.95 17.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 4.9000000000000004 110.313 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 342' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 339' ' ' GLU . 5.0 t30 70.2 39.43 1.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 3.2400000000000002 109.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -145.31 144.37 30.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 2.8399999999999999 110.331 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 344' ' ' VAL . . . . . 0.681 ' HA ' ' CB ' ' A' ' 337' ' ' GLU . 74.0 t -127.41 124.13 63.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 2.0699999999999998 109.283 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 345' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -98.54 103.27 15.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.386 1.054 . . . . 3.3199999999999998 111.03 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 0.428 HD23 HD11 ' A' ' 328' ' ' LEU . 2.5 mm? -87.41 135.8 33.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.585 1.178 . . . . 1.6599999999999999 109.274 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -105.3 148.11 27.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 2.4300000000000002 110.962 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 348' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.0 OUTLIER -166.42 124.11 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 3.29 109.325 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 9.1 t0 53.65 -151.88 0.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.418 1.074 . . . . 3.7999999999999998 109.279 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 350' ' ' ASP . . . . . 0.449 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 18.1 t70 -88.15 42.32 1.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 3.2999999999999998 109.257 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.449 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 11.9 mtmm -156.11 155.74 33.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 2.8100000000000001 109.256 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 352' ' ' TYR . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 366' ' ' LYS . 42.4 p90 -145.05 130.21 18.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 2.79 111.015 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 353' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -90.2 168.15 12.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 4.0199999999999996 108.037 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 354' ' ' LEU . . . . . 0.952 HD23 ' CE2' ' A' ' 364' ' ' TYR . 0.1 OUTLIER -131.39 116.48 17.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 2.5499999999999998 109.271 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.462 ' N ' HD12 ' A' ' 355' ' ' ILE . 1.8 mp -93.41 124.88 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 1.6200000000000001 109.219 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 21.7 t -124.07 109.53 13.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 1.6200000000000001 110.034 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 357' ' ' ASN . . . . . 0.432 ' O ' HD23 ' A' ' 358' ' ' LEU . 1.0 OUTLIER 57.14 48.35 15.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 4.54 109.28 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . 0.432 HD23 ' O ' ' A' ' 357' ' ' ASN . 0.2 OUTLIER 61.89 32.02 18.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 3.3399999999999999 109.28 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -141.27 99.93 6.41 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 3.6800000000000002 110.309 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 360' ' ' PRO . . . . . 0.42 ' HG3' ' CD2' ' A' ' 328' ' ' LEU . 18.3 Cg_endo -75.02 117.67 4.99 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.48 1.779 . . . . 2.2799999999999998 110.98 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -42.35 125.12 2.84 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 3.1699999999999999 110.29 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 133.65 16.83 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.459 1.768 . . . . 2.9399999999999999 111.014 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 363' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 61.62 58.18 2.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 4.1900000000000004 109.303 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 364' ' ' TYR . . . . . 0.952 ' CE2' HD23 ' A' ' 354' ' ' LEU . 7.5 t80 -134.93 57.62 22.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 2.96 110.982 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . 0.525 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -75.09 53.14 3.29 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.534 1.808 . . . . 1.47 111.003 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 366' ' ' LYS . . . . . 0.574 ' HG3' ' CE2' ' A' ' 364' ' ' TYR . 7.4 mmpt? -53.17 147.63 9.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 2.8799999999999999 109.334 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 78.4 p -121.4 124.3 44.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 2.3100000000000001 110.011 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . 0.606 HD13 ' N ' ' A' ' 368' ' ' ILE . 0.2 OUTLIER -42.95 -34.43 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 3.1000000000000001 109.338 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 369' ' ' HIS . . . . . 0.44 ' HA ' ' CB ' ' A' ' 373' ' ' PHE . 13.9 t-160 -43.01 -28.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.564 1.165 . . . . 3.8999999999999999 109.659 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 370' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 368' ' ' ILE . 0.3 OUTLIER -50.59 -22.19 1.89 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.534 1.146 . . . . 3.0299999999999998 110.007 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 173.72 54.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 6.29 110.985 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 372' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 374' ' ' PRO . . . -162.33 -68.87 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.149 . . . . 2.98 110.974 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 373' ' ' PHE . . . . . 0.497 ' CZ ' ' HA ' ' A' ' 376' ' ' PHE . 22.1 t80 -35.01 96.25 0.1 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.483 0.755 . . . . 6.2999999999999998 111.012 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 374' ' ' PRO . . . . . 0.437 ' N ' ' O ' ' A' ' 372' ' ' GLY . 18.6 Cg_endo -75.02 -61.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.799 . . . . 2.7999999999999998 111.068 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -122.32 -74.1 0.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.591 1.182 . . . . 4.3799999999999999 109.322 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 376' ' ' PHE . . . . . 0.497 ' HA ' ' CZ ' ' A' ' 373' ' ' PHE . 14.6 m-85 -141.93 53.52 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 7.4800000000000004 111.008 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 377' ' ' VAL . . . . . . . . . . . . . 58.1 t -94.41 99.12 8.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.468 1.105 . . . . 2.8700000000000001 109.371 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.14 30.49 4.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 3.21 109.312 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -174.57 110.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 2.02 109.277 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 8.1 mt -97.48 150.07 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.95999999999999996 109.246 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.98 -54.28 4.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 2.1499999999999999 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -159.78 165.12 33.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.79000000000000004 109.265 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -156.74 129.83 7.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.81999999999999995 109.261 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . 0.896 HG11 HG12 ' A' ' 432' ' ' VAL . 0.0 OUTLIER -132.14 170.22 20.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 2.6000000000000001 109.279 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 385' ' ' PHE . . . . . 0.596 ' HD2' HD11 ' A' ' 338' ' ' ILE . 32.7 t80 -134.35 123.64 24.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 1.8200000000000001 110.981 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -102.58 119.63 55.41 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 3.1800000000000002 109.344 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -20.12 17.03 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.417 1.746 . . . . 1.76 111.026 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.99 -28.71 32.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 2.7599999999999998 110.347 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.72 -1.41 21.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 4.1299999999999999 111.009 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 39.86 44.49 1.37 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 3.5 111.029 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -147.47 141.57 26.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 2.9700000000000002 110.295 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 392' ' ' THR . . . . . 0.637 HG23 ' O ' ' A' ' 384' ' ' VAL . 4.2 m -105.03 115.1 29.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 1.01 110.447 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -79.6 130.0 34.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 2.3900000000000001 111.02 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -107.22 109.57 21.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 2.1400000000000001 111.018 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -92.11 113.53 25.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 1.0 110.961 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 396' ' ' VAL . . . . . 0.454 HG12 ' CG ' ' A' ' 397' ' ' ASP . 88.5 t -137.41 125.94 33.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 1.5700000000000001 109.321 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 397' ' ' ASP . . . . . 0.454 ' CG ' HG12 ' A' ' 396' ' ' VAL . 0.2 OUTLIER 52.83 -152.53 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 4.0899999999999999 109.231 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -87.16 46.56 1.39 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.111 . . . . 3.2799999999999998 109.349 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 399' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -145.4 164.82 30.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 2.6899999999999999 110.275 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 400' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -126.69 133.71 50.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.602 1.189 . . . . 2.6400000000000001 111.05 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' TRP . . . . . 0.527 ' CZ2' ' HA ' ' A' ' 412' ' ' PRO . 0.7 OUTLIER -117.46 168.51 10.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 5.1100000000000003 108.0 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -152.37 116.16 4.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 4.3399999999999999 110.268 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -100.13 125.35 46.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 6.3300000000000001 111.02 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.41 125.54 27.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.57 1.168 . . . . 2.2999999999999998 109.354 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -93.63 -49.59 5.8 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.45 1.094 . . . . 3.5600000000000001 110.341 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -65.55 -24.17 67.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.18 . . . . 7.4800000000000004 110.306 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 407' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.0 OUTLIER -97.64 -41.84 7.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 2.4700000000000002 110.267 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . 0.44 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 1.0 OUTLIER 82.0 30.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 4.5099999999999998 110.305 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 6.7 tpt -136.54 105.17 5.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 1.98 111.047 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.35 146.74 53.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 2.0600000000000001 110.973 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -104.24 108.02 59.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 2.9399999999999999 109.321 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 412' ' ' PRO . . . . . 0.527 ' HA ' ' CZ2' ' A' ' 401' ' ' TRP . 18.3 Cg_endo -74.99 -49.12 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.539 1.81 . . . . 4.4500000000000002 110.982 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . -77.01 55.53 3.53 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.516 1.135 . . . . 2.2799999999999998 110.948 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 414' ' ' TYR . . . . . 0.49 ' CE2' ' HG3' ' A' ' 416' ' ' LYS . 1.9 t80 -134.06 62.48 57.26 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.531 0.783 . . . . 2.0299999999999998 110.988 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 415' ' ' PRO . . . . . 0.432 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -74.96 70.82 5.17 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.493 1.786 . . . . 1.5600000000000001 111.046 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . 0.49 ' HG3' ' CE2' ' A' ' 414' ' ' TYR . 9.4 mmtt -78.53 179.41 7.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 2.8999999999999999 109.294 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . 0.415 HD12 HG22 ' A' ' 419' ' ' THR . 0.6 OUTLIER -122.13 128.83 51.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 3.1200000000000001 109.239 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.741 HD13 ' O ' ' A' ' 427' ' ' PRO . 2.6 mp -56.98 -51.61 66.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 1.1799999999999999 109.252 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . 0.512 HG23 ' N ' ' A' ' 420' ' ' LYS . 4.6 t -59.28 -54.73 43.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 1.3400000000000001 110.364 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . 0.512 ' N ' HG23 ' A' ' 419' ' ' THR . 72.4 mttt -49.22 -52.79 24.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 1.76 109.328 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -53.99 -48.74 70.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 3.1600000000000001 109.265 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 422' ' ' PHE . . . . . 0.671 ' HB2' HD11 ' A' ' 425' ' ' ILE . 5.9 m-85 -136.34 99.75 4.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 3.1299999999999999 110.968 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -76.92 111.97 13.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 2.3700000000000001 110.326 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 141.06 -21.82 2.63 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.549 1.155 . . . . 1.4299999999999999 110.978 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 425' ' ' ILE . . . . . 0.671 HD11 ' HB2' ' A' ' 422' ' ' PHE . 9.0 pt -95.92 -31.01 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 2.1699999999999999 109.242 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 101.62 163.16 27.12 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.444 1.09 . . . . 0.94999999999999996 111.003 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . 0.741 ' O ' HD13 ' A' ' 418' ' ' ILE . 18.4 Cg_endo -74.94 -1.64 11.47 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 1.8400000000000001 110.999 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.16 136.23 52.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 2.3100000000000001 109.292 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -133.93 158.35 42.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 2.0800000000000001 109.308 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . 0.436 ' CB ' ' O ' ' A' ' 443' ' ' PHE . 0.9 OUTLIER -115.68 -59.76 1.96 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 2.7799999999999998 109.329 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.658 ' HB1' HG12 ' A' ' 291' ' ' VAL . . . -136.82 148.4 47.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.81999999999999995 109.354 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.896 HG12 HG11 ' A' ' 384' ' ' VAL . 41.8 t -141.19 131.52 26.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 2.7599999999999998 109.3 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 433' ' ' PHE . . . . . 0.464 ' CE1' ' HB3' ' A' ' 441' ' ' TYR . 18.0 p90 -145.72 122.94 11.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.453 1.095 . . . . 3.6699999999999999 110.993 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 434' ' ' TYR . . . . . 0.449 ' O ' HG21 ' A' ' 293' ' ' THR . 69.7 t80 -90.34 100.27 13.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 3.48 111.011 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . 0.443 ' HB2' HG21 ' A' ' 293' ' ' THR . 37.0 t -141.64 99.51 3.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 3.3399999999999999 110.023 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 436' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt 176.18 -160.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 4.2300000000000004 109.265 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -93.14 -35.19 13.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 6.0899999999999999 109.262 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.47 54.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 3.0099999999999998 109.343 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 439' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -144.02 163.42 33.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 2.4199999999999999 110.963 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -128.54 127.69 42.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.077 . . . . 3.4300000000000002 110.943 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 441' ' ' TYR . . . . . 0.464 ' HB3' ' CE1' ' A' ' 433' ' ' PHE . 14.4 m-85 -104.41 150.72 24.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.08 . . . . 2.6400000000000001 110.958 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . 0.418 ' CD1' ' CG2' ' A' ' 425' ' ' ILE . 2.2 m-85 -145.94 142.52 28.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 3.6600000000000001 111.008 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 443' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 464' ' ' SER . 0.2 OUTLIER -116.06 111.97 21.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 3.5800000000000001 110.968 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . 0.402 ' O ' ' ND2' ' A' ' 447' ' ' ASN . 2.3 tm0? -130.74 62.07 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 4.0599999999999996 110.269 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 445' ' ' GLY . . . . . 0.431 ' O ' ' ND2' ' A' ' 447' ' ' ASN . . . 90.97 79.36 1.38 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.123 . . . . 2.8700000000000001 110.959 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 1.5 t 42.32 54.69 4.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 2.7799999999999998 110.03 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 447' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 445' ' ' GLY . 59.0 m-20 -144.72 110.75 5.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 2.21 109.292 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.25 77.25 1.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 3.5 110.329 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -81.43 145.68 30.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 2.3399999999999999 110.969 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 458' ' ' ILE . 0.2 OUTLIER -122.64 137.41 54.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 2.9399999999999999 110.257 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 451' ' ' TYR . . . . . 0.415 ' CE2' ' CE1' ' A' ' 422' ' ' PHE . 73.1 t80 -115.16 129.93 56.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 3.8900000000000001 110.978 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 452' ' ' ASP . . . . . 0.402 ' OD1' ' CB ' ' A' ' 454' ' ' LEU . 64.2 t0 -110.32 114.27 27.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 3.4300000000000002 109.267 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -64.75 -18.77 65.35 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 4.79 110.956 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . 0.402 ' CB ' ' OD1' ' A' ' 452' ' ' ASP . 22.6 tp -42.96 -41.55 3.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 3.1400000000000001 109.244 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 456' ' ' GLN . 1.4 pt? -170.16 43.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 2.6400000000000001 109.301 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 455' ' ' LEU . 14.2 pt20 37.85 64.08 0.72 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.425 1.078 . . . . 5.3799999999999999 110.312 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -125.28 110.44 14.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 3.4199999999999999 110.34 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 458' ' ' ILE . . . . . 0.418 HG23 ' O ' ' A' ' 450' ' ' GLU . 81.3 mt -88.4 94.05 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.066 . . . . 2.0299999999999998 109.376 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 10.6 p -107.17 45.51 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.58 1.175 . . . . 3.1000000000000001 110.427 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 460' ' ' LYS . . . . . 0.663 ' HE2' HD22 ' A' ' 462' ' ' LEU . 0.0 OUTLIER -155.39 74.94 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 3.8199999999999998 109.376 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . 0.535 HG22 ' O ' ' A' ' 461' ' ' THR . 1.9 m -106.52 75.96 1.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 3.1099999999999999 110.373 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 462' ' ' LEU . . . . . 0.744 HD11 ' CB ' ' A' ' 466' ' ' SER . 1.9 pt? -128.36 -179.73 5.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 2.8199999999999998 109.302 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 463' ' ' LYS . . . . . 0.529 ' N ' ' CD ' ' A' ' 463' ' ' LYS . 0.1 OUTLIER -89.37 169.09 11.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 3.3100000000000001 109.348 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . 0.571 ' HB2' ' CE1' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -43.67 -28.4 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 2.04 109.969 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 468' ' ' PHE . 20.9 m120 -38.44 -34.35 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 3.7999999999999998 109.372 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . 0.744 ' CB ' HD11 ' A' ' 462' ' ' LEU . 0.9 OUTLIER -43.09 -47.21 6.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 4.1799999999999997 109.97 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 467' ' ' TRP . . . . . 0.61 ' O ' ' CD1' ' A' ' 468' ' ' PHE . 0.1 OUTLIER -93.23 45.89 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.026 -1.101 . . . . 7.04 108.026 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 468' ' ' PHE . . . . . 0.676 ' CE2' HG21 ' A' ' 316' ' ' THR . 10.9 m-85 -159.35 -41.37 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 6.4100000000000001 110.986 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 109.58 78.18 1.01 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.574 1.171 . . . . 4.21 111.011 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 470' ' ' CYS . . . . . 1.058 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 N-CA-C 108.294 -1.002 . . . . 5.3799999999999999 108.294 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 471' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 277' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 120.509 0.195 . . . . 10.630000000000001 111.058 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -80.67 163.06 58.1 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 6.9199999999999999 110.331 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 279' ' ' PRO . . . . . 0.477 ' HA ' HD11 ' A' ' 286' ' ' LEU . 18.4 Cg_endo -74.93 177.53 8.45 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.533 1.807 . . . . 3.2799999999999998 111.007 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 280' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 279' ' ' PRO . . . 178.48 100.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 3.6800000000000002 109.293 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 281' ' ' LEU . . . . . 0.723 HD23 ' CH2' ' A' ' 307' ' ' TRP . 0.2 OUTLIER -100.4 77.23 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 2.8100000000000001 109.297 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 282' ' ' CYS . . . . . 1.022 ' SG ' ' SG ' ' A' ' 470' ' ' CYS . 0.1 OUTLIER 174.1 -75.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 4.4299999999999997 108.32 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.13 131.12 92.23 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 4.0499999999999998 109.285 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 84.02 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.524 1.802 . . . . 2.3500000000000001 110.991 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -155.09 26.2 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 2.5299999999999998 109.311 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 286' ' ' LEU . . . . . 0.518 HD22 ' CZ3' ' A' ' 307' ' ' TRP . 0.4 OUTLIER -103.14 161.38 13.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.118 . . . . 2.1299999999999999 109.339 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 71.0 m -144.6 162.83 35.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 2.6000000000000001 109.977 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -131.88 157.11 44.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 2.04 110.933 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 289' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -98.22 -47.59 5.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 2.7400000000000002 109.262 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -143.76 155.18 44.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.85999999999999999 109.303 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 291' ' ' VAL . . . . . 0.837 HG22 ' HB1' ' A' ' 431' ' ' ALA . 29.4 m -142.24 129.8 20.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.372 1.045 . . . . 2.1400000000000001 109.333 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 6.4 t -155.04 130.21 9.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 1.1699999999999999 110.303 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 293' ' ' THR . . . . . . . . . . . . . 10.0 t -110.14 156.99 19.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 2.9100000000000001 110.458 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 24.2 t -140.02 93.5 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 1.8799999999999999 109.297 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 82.23 -115.45 4.02 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 1.8899999999999999 111.0 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 296' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -106.49 9.04 31.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 3.46 109.264 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.793 ' HA ' HG23 ' A' ' 310' ' ' VAL . 7.1 tttt -114.66 141.27 48.03 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.567 1.167 . . . . 4.1299999999999999 109.282 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 11.3 mt -119.65 140.48 43.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 2.46 109.266 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 299' ' ' PHE . . . . . 0.558 ' CZ ' ' HG2' ' A' ' 297' ' ' LYS . 35.0 m-85 -128.71 138.64 52.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 2.8599999999999999 111.009 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 300' ' ' PHE . . . . . 0.434 ' O ' ' HA ' ' A' ' 306' ' ' PHE . 24.3 m-85 -131.43 118.39 20.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 2.6499999999999999 111.039 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 301' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -89.46 145.35 25.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 2.48 110.927 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 302' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -153.92 71.57 0.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 3.04 109.312 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 303' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 43.81 85.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 3.1800000000000002 109.328 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 304' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 75.89 -56.29 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 7.0800000000000001 110.33 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . 0.528 ' CD2' ' HB ' ' A' ' 318' ' ' VAL . 3.2 m-85 -80.06 122.54 26.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 3.0600000000000001 111.041 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 306' ' ' PHE . . . . . 0.694 ' HB3' HD11 ' A' ' 321' ' ' ILE . 52.3 p90 -121.85 137.79 54.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.448 1.092 . . . . 1.79 111.046 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 307' ' ' TRP . . . . . 0.723 ' CH2' HD23 ' A' ' 281' ' ' LEU . 4.2 m0 -89.4 127.69 35.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 5.4100000000000001 107.999 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.417 ' O ' HG22 ' A' ' 316' ' ' THR . 0.3 OUTLIER -115.35 119.07 35.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.078 . . . . 1.76 109.307 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 309' ' ' LYS . . . . . 0.481 ' HB2' HG22 ' A' ' 316' ' ' THR . 6.4 tptt -136.93 90.26 2.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 2.1400000000000001 109.274 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . 0.793 HG23 ' HA ' ' A' ' 297' ' ' LYS . 7.7 p -114.11 170.06 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 3.1600000000000001 109.364 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . 0.505 ' H ' HG22 ' A' ' 310' ' ' VAL . 0.6 OUTLIER -58.5 139.32 55.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 4.9900000000000002 110.004 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 70.39 33.13 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 4.71 110.276 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -106.41 131.3 21.83 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 5.5499999999999998 110.303 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -43.23 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.482 1.78 . . . . 2.4100000000000001 110.991 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.03 172.25 17.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.09 . . . . 3.3700000000000001 109.333 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . 0.569 HG21 ' HD1' ' A' ' 468' ' ' PHE . 32.6 p -95.04 131.33 41.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 1.5600000000000001 110.435 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.47 176.46 6.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 2.1000000000000001 109.945 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 318' ' ' VAL . . . . . 0.528 ' HB ' ' CD2' ' A' ' 305' ' ' PHE . 0.7 OUTLIER -142.1 60.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 2.4900000000000002 109.252 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . 0.436 ' O ' ' CD1' ' A' ' 306' ' ' PHE . 0.8 OUTLIER -94.41 174.23 7.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 2.4399999999999999 109.274 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.658 HD23 ' H ' ' A' ' 320' ' ' LEU . 0.9 OUTLIER -88.94 141.12 28.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 4.2599999999999998 109.365 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 321' ' ' ILE . . . . . 0.694 HD11 ' HB3' ' A' ' 306' ' ' PHE . 2.5 mt -70.16 -50.23 48.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 1.8700000000000001 109.236 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 322' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 324' ' ' LEU . 0.5 OUTLIER -38.2 -37.61 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 2.4199999999999999 109.988 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 13.0 t -41.31 -27.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 2.9900000000000002 109.987 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 322' ' ' SER . 3.2 mp -113.45 -73.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 2.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 325' ' ' TRP . . . . . 0.619 ' CH2' HD21 ' A' ' 346' ' ' LEU . 5.2 m0 -51.84 139.59 31.35 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 2.3500000000000001 108.024 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 326' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 325' ' ' TRP . 18.2 Cg_endo -74.98 -87.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.512 1.796 . . . . 1.5900000000000001 111.017 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 327' ' ' THR . . . . . 0.838 ' O ' HD22 ' A' ' 328' ' ' LEU . 1.4 t -97.75 89.58 4.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 1.98 110.443 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.838 HD22 ' O ' ' A' ' 327' ' ' THR . 3.7 mm? -140.95 162.28 49.26 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 1.8700000000000001 109.293 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 329' ' ' PRO . . . . . 0.435 ' O ' ' CB ' ' A' ' 330' ' ' SER . 18.3 Cg_endo -75.0 -41.78 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.555 1.819 . . . . 3.1200000000000001 110.997 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 330' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 329' ' ' PRO . 0.9 OUTLIER 80.07 1.1 2.05 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.553 1.158 . . . . 5.1100000000000003 110.022 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -140.3 57.29 0.6 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.517 1.135 . . . . 1.76 110.973 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.586 HD13 HD12 ' A' ' 346' ' ' LEU . 1.5 mp -70.15 149.27 10.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.441 0.73 . . . . 1.75 109.301 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -106.36 -21.29 13.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.587 1.179 . . . . 3.52 110.326 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -141.61 111.58 6.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.88 109.299 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -120.59 136.52 54.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.92000000000000004 109.34 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 336' ' ' TYR . . . . . 0.515 ' C ' ' CD1' ' A' ' 336' ' ' TYR . 0.0 OUTLIER -127.5 171.97 11.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 3.6000000000000001 110.941 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 337' ' ' GLU . . . . . 0.904 ' OE1' HG22 ' A' ' 344' ' ' VAL . 50.5 tp10 -147.49 159.75 43.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 3.5 110.343 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . 0.642 HG23 ' O ' ' A' ' 338' ' ' ILE . 1.3 tt -152.1 100.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 3.4500000000000002 109.334 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.31 -14.74 62.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 2.7999999999999998 110.323 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -69.27 -50.92 42.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 2.5699999999999998 109.284 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 341' ' ' ARG . . . . . 0.466 ' O ' ' CB ' ' A' ' 342' ' ' ASN . 14.3 mtp180 -89.57 -32.24 17.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 3.46 110.301 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 342' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 341' ' ' ARG . 0.5 OUTLIER 79.37 52.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 2.7999999999999998 109.253 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.18 148.17 39.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 4.4400000000000004 110.327 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 344' ' ' VAL . . . . . 0.904 HG22 ' OE1' ' A' ' 337' ' ' GLU . 23.3 t -116.09 139.46 42.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 1.8 109.252 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 345' ' ' PHE . . . . . 0.403 ' HB2' ' CD1' ' A' ' 336' ' ' TYR . 0.0 OUTLIER -122.58 137.86 54.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 3.71 110.955 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 0.619 HD21 ' CH2' ' A' ' 325' ' ' TRP . 2.5 mm? -118.11 131.23 56.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 1.46 109.288 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 347' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -109.73 140.07 44.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.09 . . . . 2.5699999999999998 111.021 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 348' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 351' ' ' LYS . 0.1 OUTLIER -160.48 111.11 1.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 4.4199999999999999 109.368 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 3.1 t0 57.51 -150.4 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 3.0299999999999998 109.349 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 350' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 38.6 p-10 -84.78 41.26 0.85 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 3.1899999999999999 109.219 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.409 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 10.8 mttp -156.43 141.53 17.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 1.6499999999999999 109.335 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 352' ' ' TYR . . . . . 0.669 ' CD1' HG23 ' A' ' 368' ' ' ILE . 43.7 p90 -146.96 123.92 11.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.423 1.077 . . . . 2.8300000000000001 111.019 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 353' ' ' TRP . . . . . 0.435 ' CZ3' ' O ' ' A' ' 361' ' ' GLU . 31.4 m95 -92.05 158.63 16.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 5.9199999999999999 107.979 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 354' ' ' LEU . . . . . 0.762 ' C ' HD12 ' A' ' 354' ' ' LEU . 0.0 OUTLIER -118.9 117.22 28.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 1.77 109.288 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.541 HD13 HD23 ' A' ' 346' ' ' LEU . 2.7 mp -91.37 107.94 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 1.3600000000000001 109.281 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 356' ' ' SER . . . . . . . . . . . . . 18.3 t -87.59 98.6 11.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 1.7 109.973 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 73.93 -63.68 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 3.5499999999999998 109.362 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -165.97 30.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 3.3999999999999999 109.295 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 1.5 tpt85 -148.21 115.73 3.99 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 5.04 110.26 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 360' ' ' PRO . . . . . 0.49 ' HA ' ' O ' ' A' ' 354' ' ' LEU . 18.2 Cg_endo -75.01 137.78 22.15 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.558 1.82 . . . . 1.5 111.021 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 361' ' ' GLU . . . . . 0.435 ' O ' ' CZ3' ' A' ' 353' ' ' TRP . 16.6 mm-40 -56.99 122.2 51.38 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 2.3199999999999998 110.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.23 15.22 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 2.1200000000000001 110.984 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 363' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 62.73 61.4 1.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 4.4100000000000001 109.309 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 364' ' ' TYR . . . . . 0.522 ' N ' ' HD3' ' A' ' 365' ' ' PRO . 2.6 t80 -135.75 57.46 19.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 3.6099999999999999 111.053 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . 0.522 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -74.98 49.4 2.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 1.4299999999999999 110.999 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 366' ' ' LYS . . . . . 0.436 ' CB ' ' CZ ' ' A' ' 352' ' ' TYR . 7.2 mmpt? -51.82 153.89 2.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 2.2000000000000002 109.251 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 367' ' ' SER . . . . . 0.574 ' HB3' ' CE1' ' A' ' 369' ' ' HIS . 18.4 m -122.61 120.95 35.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 1.78 110.042 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . 0.669 HG23 ' CD1' ' A' ' 352' ' ' TYR . 8.4 pt -60.52 -31.43 48.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 1.97 109.276 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 369' ' ' HIS . . . . . 0.574 ' CE1' ' HB3' ' A' ' 367' ' ' SER . 3.4 p-80 -68.15 -29.66 68.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 4.1699999999999999 109.677 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 29.1 t -68.62 -7.81 36.36 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.541 1.15 . . . . 2.5299999999999998 109.967 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 371' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -99.64 36.32 1.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 5.0499999999999998 111.078 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . 121.04 -69.99 0.4 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.485 1.115 . . . . 3.7999999999999998 110.986 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 373' ' ' PHE . . . . . 0.565 ' O ' ' CD2' ' A' ' 373' ' ' PHE . 3.4 t80 58.16 102.72 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.439 0.729 . . . . 5.0800000000000001 110.963 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 374' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -78.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 2.9399999999999999 111.006 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 375' ' ' ASN . . . . . 0.496 ' ND2' ' H ' ' A' ' 376' ' ' PHE . 0.4 OUTLIER -122.61 -75.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 6.6299999999999999 109.308 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 376' ' ' PHE . . . . . 0.496 ' H ' ' ND2' ' A' ' 375' ' ' ASN . 1.6 t80 -126.91 82.57 2.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 7.6100000000000003 110.961 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 377' ' ' VAL . . . . . . . . . . . . . 87.5 t -126.11 80.54 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 2.5699999999999998 109.351 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.05 -0.44 10.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 3.6499999999999999 109.335 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.19 127.1 7.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 3.3999999999999999 109.312 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 9.0 mt -98.46 150.15 5.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 1.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.89 -47.04 13.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 1.9199999999999999 109.299 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 382' ' ' ALA . . . . . 0.774 ' HB1' HG22 ' A' ' 432' ' ' VAL . . . -153.39 158.12 40.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.81000000000000005 109.26 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -150.74 120.38 6.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.85999999999999999 109.346 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . 0.766 ' HB ' HG23 ' A' ' 432' ' ' VAL . 9.0 p -140.29 157.06 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.374 1.047 . . . . 2.0800000000000001 109.28 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 385' ' ' PHE . . . . . 0.427 ' CD1' HD12 ' A' ' 338' ' ' ILE . 51.8 t80 -98.42 153.43 18.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 2.0899999999999999 111.021 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 386' ' ' ASN . . . . . 0.431 ' ND2' ' CE1' ' A' ' 393' ' ' TYR . 0.3 OUTLIER -113.46 120.87 38.85 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 2.8599999999999999 109.322 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -44.38 0.34 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 2.5 111.009 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 1.3 tpt85 -84.39 44.06 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 2.6499999999999999 110.3 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 389' ' ' PHE . . . . . 0.589 ' C ' ' CG ' ' A' ' 390' ' ' TYR . 0.1 OUTLIER -171.07 -36.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 2.75 110.986 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 390' ' ' TYR . . . . . 0.589 ' CG ' ' C ' ' A' ' 389' ' ' PHE . 1.9 m-85 73.01 30.07 1.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 2.8700000000000001 110.992 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 391' ' ' ARG . . . . . . . . . . . . . 10.6 mtt85 -133.92 154.29 51.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 3.1099999999999999 110.3 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 392' ' ' THR . . . . . 0.647 HG22 ' H ' ' A' ' 393' ' ' TYR . 20.7 m -86.35 179.4 6.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 1.55 110.406 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . 0.647 ' H ' HG22 ' A' ' 392' ' ' THR . 7.5 m-85 -136.41 113.13 10.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 1.78 110.984 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -99.4 103.65 15.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 3.1099999999999999 111.017 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . 0.474 ' CG ' HG21 ' A' ' 429' ' ' ILE . 18.5 m-85 -101.74 112.22 24.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 1.47 111.024 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 396' ' ' VAL . . . . . 0.869 HG22 ' OD1' ' A' ' 397' ' ' ASP . 3.9 p -138.85 130.94 37.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.39 1.056 . . . . 2.7400000000000002 109.281 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 397' ' ' ASP . . . . . 0.869 ' OD1' HG22 ' A' ' 396' ' ' VAL . 0.1 OUTLIER 55.7 -152.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 3.25 109.284 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 398' ' ' ASN . 34.1 t30 -87.97 50.31 1.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 3.7599999999999998 109.311 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 399' ' ' GLN . . . . . 0.449 ' HB3' ' CZ3' ' A' ' 401' ' ' TRP . 0.2 OUTLIER -150.18 167.02 28.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 2.52 110.303 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 400' ' ' TYR . . . . . 0.453 ' CE1' ' O ' ' A' ' 401' ' ' TRP . 0.6 OUTLIER -143.39 120.08 11.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 2.7200000000000002 110.976 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' TRP . . . . . 0.453 ' O ' ' CE1' ' A' ' 400' ' ' TYR . 11.6 m-90 -108.84 179.49 4.16 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.943 -1.132 . . . . 5.0599999999999996 107.943 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 402' ' ' ARG . . . . . 0.41 ' NH1' ' CD2' ' A' ' 389' ' ' PHE . 1.3 tpp180 -145.31 127.31 15.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.581 1.176 . . . . 4.1200000000000001 110.259 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -119.0 129.64 55.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 5.1299999999999999 111.016 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.39 128.5 35.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 3.0099999999999998 109.278 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -86.22 -50.63 6.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.599 1.187 . . . . 4.1799999999999997 110.329 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -61.36 -56.64 18.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 10.449999999999999 110.233 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 407' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -67.23 -38.75 85.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 4.0599999999999996 110.3 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 70.5 49.77 0.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 5.1900000000000004 110.34 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 4.6 tpt -149.81 100.73 2.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 2.3199999999999998 111.071 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.17 140.04 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 2.1400000000000001 110.97 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.88 158.68 85.46 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 4.3300000000000001 109.261 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 412' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 414' ' ' TYR . 18.3 Cg_endo -75.01 134.46 17.82 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.463 1.77 . . . . 3.5800000000000001 111.039 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 43.37 -92.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.424 1.077 . . . . 3.1899999999999999 110.974 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 414' ' ' TYR . . . . . 0.587 ' N ' ' HD3' ' A' ' 415' ' ' PRO . 0.1 OUTLIER 63.79 53.89 1.57 Allowed Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.517 0.775 . . . . 3.4300000000000002 111.037 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 415' ' ' PRO . . . . . 0.587 ' HD3' ' N ' ' A' ' 414' ' ' TYR . 18.4 Cg_endo -74.89 60.34 5.33 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.524 1.802 . . . . 2.8199999999999998 111.032 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt -92.45 177.14 6.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 6.6500000000000004 109.265 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.26 163.44 20.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 2.77 109.29 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.435 HD11 ' N ' ' A' ' 399' ' ' GLN . 2.8 mp -70.18 -56.39 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 1.3 109.281 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . 0.495 HG23 ' N ' ' A' ' 420' ' ' LYS . 3.9 t -57.12 -54.11 50.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 1.6699999999999999 110.414 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . 0.495 ' N ' HG23 ' A' ' 419' ' ' THR . 1.1 mttt -40.59 -52.42 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 3.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -70.58 -62.97 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 2.9900000000000002 109.323 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 422' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -118.93 80.97 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 2.7799999999999998 111.022 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 423' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 419' ' ' THR . 0.0 OUTLIER -87.2 66.84 9.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 3.3100000000000001 110.321 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -118.72 -18.36 4.82 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.5 1.125 . . . . 1.6799999999999999 111.023 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 425' ' ' ILE . . . . . 0.737 HD13 ' N ' ' A' ' 425' ' ' ILE . 0.2 OUTLIER -126.41 -43.38 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 3.6200000000000001 109.298 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 426' ' ' GLY . . . . . 0.444 ' C ' ' H ' ' A' ' 428' ' ' LYS . . . 152.09 175.35 23.65 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.458 1.099 . . . . 1.0700000000000001 111.032 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . 0.46 ' HB3' ' CG2' ' A' ' 419' ' ' THR . 18.1 Cg_endo -75.07 40.97 0.7 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.45 1.763 . . . . 1.9099999999999999 110.916 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' A' ' 426' ' ' GLY . 0.0 OUTLIER -159.72 141.07 12.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 2.7400000000000002 109.311 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 429' ' ' ILE . . . . . 0.488 ' CD1' ' HB3' ' A' ' 442' ' ' PHE . 7.5 tp -133.88 154.28 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 1.8600000000000001 109.351 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -117.91 -60.01 1.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 2.8199999999999998 109.279 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.837 ' HB1' HG22 ' A' ' 291' ' ' VAL . . . -137.21 146.41 44.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.77000000000000002 109.268 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.774 HG22 ' HB1' ' A' ' 382' ' ' ALA . 29.3 m -149.63 138.81 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 2.79 109.274 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 433' ' ' PHE . . . . . 0.684 ' HB3' HG23 ' A' ' 291' ' ' VAL . 1.5 p90 -155.0 146.18 22.81 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 2.7599999999999998 111.019 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -97.62 106.56 18.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 3.98 110.998 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . 0.547 ' HB3' ' CE2' ' A' ' 433' ' ' PHE . 98.5 p -116.39 -36.09 4.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 2.9399999999999999 110.0 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 436' ' ' LYS . . . . . 0.411 ' CB ' ' HB2' ' A' ' 439' ' ' TYR . 3.5 mmmt -62.0 -169.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 4.5300000000000002 109.318 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -91.35 -46.39 8.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 4.8799999999999999 109.326 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 438' ' ' LYS . 0.0 OUTLIER -146.67 58.08 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 4.2599999999999998 109.284 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 439' ' ' TYR . . . . . 0.504 ' CD1' ' OE2' ' A' ' 450' ' ' GLU . 89.1 m-85 -152.46 166.61 31.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.576 1.172 . . . . 2.4199999999999999 111.022 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -128.94 132.26 47.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 3.2999999999999998 111.039 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 441' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -102.47 123.65 46.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 2.1400000000000001 111.032 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . 0.488 ' HB3' ' CD1' ' A' ' 429' ' ' ILE . 15.1 m-85 -123.32 146.1 48.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 3.5499999999999998 110.999 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 443' ' ' PHE . . . . . 0.552 ' C ' ' CD1' ' A' ' 443' ' ' PHE . 0.0 OUTLIER -148.75 144.44 27.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 5.7599999999999998 110.973 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -153.84 85.61 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.077 . . . . 4.8399999999999999 110.322 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 124.19 -89.8 0.4 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.141 . . . . 2.1200000000000001 111.0 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.8 43.99 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 2.71 109.978 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 447' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -154.6 144.8 21.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 2.5499999999999998 109.275 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -127.22 95.98 4.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 3.96 110.293 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 449' ' ' PHE . . . . . 0.482 ' HB2' ' CG2' ' A' ' 425' ' ' ILE . 3.8 m-85 -88.64 162.22 16.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 2.4500000000000002 111.003 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 0.504 ' OE2' ' CD1' ' A' ' 439' ' ' TYR . 45.1 tt0 -123.45 143.94 49.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 2.77 110.307 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 451' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -115.08 153.13 31.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 2.9100000000000001 111.029 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -141.3 127.82 20.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 3.2400000000000002 109.305 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 454' ' ' LEU . 25.6 t80 -64.22 -15.95 61.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 3.6499999999999999 110.904 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 453' ' ' PHE . 6.6 tp -39.6 -48.14 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 2.7400000000000002 109.318 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.472 HD13 ' HG3' ' A' ' 457' ' ' ARG . 0.3 OUTLIER -171.88 37.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 3.21 109.334 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 46.85 74.0 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 3.3399999999999999 110.282 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 457' ' ' ARG . . . . . 0.472 ' HG3' HD13 ' A' ' 455' ' ' LEU . 0.0 OUTLIER -139.81 176.18 8.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 4.3799999999999999 110.297 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 1.1 mp -112.87 122.24 66.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 1.75 109.32 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 45.4 p -95.74 -55.83 2.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 3.98 110.39 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.02 157.48 24.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.592 1.183 . . . . 5.5700000000000003 109.274 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . 0.614 ' C ' HD13 ' A' ' 462' ' ' LEU . 3.2 m -152.86 113.83 4.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 2.7799999999999998 110.376 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 462' ' ' LEU . . . . . 0.614 HD13 ' C ' ' A' ' 461' ' ' THR . 0.3 OUTLIER -102.1 169.79 8.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 2.6099999999999999 109.277 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.79 59.2 1.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.092 . . . . 3.3799999999999999 109.315 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 59.8 p 42.64 36.07 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 2.9199999999999999 110.032 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -175.93 54.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 2.7999999999999998 109.408 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . 0.594 ' O ' ' CD1' ' A' ' 467' ' ' TRP . 3.6 m -112.78 -17.23 12.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 2.6400000000000001 110.039 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 467' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 466' ' ' SER . 9.5 m0 -145.41 68.19 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 6.3300000000000001 108.026 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 468' ' ' PHE . . . . . 0.569 ' HD1' HG21 ' A' ' 316' ' ' THR . 88.0 m-85 -162.35 -66.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 7.3300000000000001 111.023 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -132.25 -46.84 0.12 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 2.54 110.976 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 470' ' ' CYS . . . . . 1.022 ' SG ' ' SG ' ' A' ' 282' ' ' CYS . 39.6 m . . . . . 0 C--N 1.325 -0.463 0 N-CA-C 108.301 -1.0 . . . . 4.25 108.301 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 471' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 277' ' ' MET . . . . . 0.422 ' HG2' ' CD1' ' A' ' 305' ' ' PHE . 5.0 mtm . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.482 0.182 . . . . 10.550000000000001 111.028 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -131.82 111.2 14.65 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.601 1.188 . . . . 6.75 110.267 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 279' ' ' PRO . . . . . 0.585 ' O ' ' HB2' ' A' ' 280' ' ' ALA . 18.3 Cg_endo -74.99 -51.68 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.537 1.809 . . . . 4.2800000000000002 110.97 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 280' ' ' ALA . . . . . 0.585 ' HB2' ' O ' ' A' ' 279' ' ' PRO . . . 169.63 103.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 3.7400000000000002 109.342 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 281' ' ' LEU . . . . . 0.413 ' HG ' ' CE2' ' A' ' 468' ' ' PHE . 1.9 mm? -71.65 -46.11 59.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 3.75 109.29 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 282' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.42 60.13 3.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 4.2699999999999996 108.277 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 283' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -178.94 111.43 0.21 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 4.6500000000000004 109.301 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 90.64 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.557 1.819 . . . . 1.95 110.969 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 285' ' ' ASN . . . . . 0.483 HD22 ' N ' ' A' ' 285' ' ' ASN . 0.1 OUTLIER -170.57 48.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 3.9300000000000002 109.354 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 286' ' ' LEU . . . . . 0.522 HD23 ' N ' ' A' ' 287' ' ' SER . 6.5 tt -113.03 163.68 14.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 3.2000000000000002 109.362 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 287' ' ' SER . . . . . 0.522 ' N ' HD23 ' A' ' 286' ' ' LEU . 54.4 p -142.93 163.18 33.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 2.0899999999999999 110.0 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 288' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -124.49 176.99 6.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 2.04 111.049 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 289' ' ' ASP . . . . . 0.98 ' O ' 'CA ' ' A' ' 471' ' ' ' CA' . 0.2 OUTLIER -132.46 -48.74 0.9 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.103 . . . . 3.3199999999999998 109.299 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -137.58 147.91 45.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 1.05 109.254 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 291' ' ' VAL . . . . . 0.742 HG22 ' HB1' ' A' ' 431' ' ' ALA . 28.1 m -147.24 140.91 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 2.2799999999999998 109.334 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -151.04 156.83 41.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 1.3799999999999999 110.383 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 293' ' ' THR . . . . . 0.633 HG21 ' CB ' ' A' ' 435' ' ' SER . 8.8 t -121.59 141.0 51.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 2.5499999999999998 110.426 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 87.3 t -128.11 122.0 57.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 2.1200000000000001 109.338 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 57.35 -118.27 12.05 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 1.6899999999999999 110.944 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 296' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 296' ' ' ASN . 7.7 t30 -109.52 23.29 14.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 4.29 109.343 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.888 ' HA ' HG21 ' A' ' 310' ' ' VAL . 18.3 mtmm -131.03 165.56 22.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.073 . . . . 3.96 109.292 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 298' ' ' ILE . . . . . 0.927 HD12 HG23 ' A' ' 310' ' ' VAL . 5.7 mt -124.39 135.72 62.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 2.8799999999999999 109.27 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 299' ' ' PHE . . . . . 0.469 ' CZ ' HD11 ' A' ' 308' ' ' LEU . 8.1 m-85 -133.35 97.85 4.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 3.5 111.031 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 300' ' ' PHE . . . . . 0.429 ' O ' ' HB2' ' A' ' 306' ' ' PHE . 26.3 m-85 -80.8 156.99 25.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 2.8700000000000001 111.04 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 301' ' ' PHE . . . . . 0.492 ' HB3' HD13 ' A' ' 332' ' ' ILE . 9.3 m-85 -131.17 157.91 41.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 3.3700000000000001 111.01 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 302' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 305' ' ' PHE . 0.0 OUTLIER -165.14 143.12 6.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 4.0499999999999998 109.305 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 303' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 304' ' ' ARG . 3.7 t0 -42.3 144.69 0.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.592 1.182 . . . . 4.4400000000000004 109.295 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 304' ' ' ARG . . . . . 0.752 ' O ' HD12 ' A' ' 320' ' ' LEU . 0.0 OUTLIER 68.86 -72.14 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 6.5999999999999996 110.363 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . 0.491 ' O ' ' O ' ' A' ' 302' ' ' LYS . 7.2 m-85 -127.43 159.1 35.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 2.7200000000000002 110.988 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 306' ' ' PHE . . . . . 0.44 ' CB ' ' HA ' ' A' ' 301' ' ' PHE . 8.8 p90 -119.73 176.09 5.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 2.1299999999999999 110.981 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 307' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -127.4 162.47 26.25 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.552 1.158 . . . . 4.6100000000000003 108.038 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.71 HD23 ' N ' ' A' ' 309' ' ' LYS . 3.1 tt -153.79 122.81 6.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 3.8700000000000001 109.278 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 309' ' ' LYS . . . . . 0.71 ' N ' HD23 ' A' ' 308' ' ' LEU . 3.4 tptt -152.35 117.05 5.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 2.9100000000000001 109.291 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . 0.927 HG23 HD12 ' A' ' 298' ' ' ILE . 2.4 p -140.17 -173.29 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 4.3600000000000003 109.251 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . 0.726 ' H ' HG22 ' A' ' 310' ' ' VAL . 4.8 m -66.47 141.05 58.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 7.8799999999999999 110.018 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 72.19 28.24 2.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 6.2800000000000002 110.332 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 313' ' ' ARG . . . . . 0.406 ' NH2' ' HB2' ' A' ' 317' ' ' SER . 8.3 tpt180 -106.5 116.24 59.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 4.6799999999999997 110.289 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -21.67 15.64 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 2.4199999999999999 111.031 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -169.88 159.92 8.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 4.3300000000000001 109.329 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . 0.475 HG22 ' HD2' ' A' ' 309' ' ' LYS . 10.3 p -81.45 127.32 32.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 1.6399999999999999 110.411 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . 0.406 ' HB2' ' NH2' ' A' ' 313' ' ' ARG . 0.5 OUTLIER -89.5 98.95 12.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 2.3599999999999999 109.997 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 318' ' ' VAL . . . . . . . . . . . . . 74.3 t -91.25 122.78 43.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 3.0499999999999998 109.309 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 306' ' ' PHE . 2.9 m120 -142.05 179.55 6.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 2.29 109.331 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.752 HD12 ' O ' ' A' ' 304' ' ' ARG . 12.4 tp -98.83 152.78 19.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 2.21 109.316 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 321' ' ' ILE . . . . . 0.516 HG22 ' N ' ' A' ' 322' ' ' SER . 0.7 OUTLIER -66.24 -65.83 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.426 1.079 . . . . 1.3200000000000001 109.327 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 322' ' ' SER . . . . . 0.516 ' N ' HG22 ' A' ' 321' ' ' ILE . 0.2 OUTLIER -39.9 -49.58 2.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 1.9399999999999999 109.962 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 323' ' ' SER . . . . . . . . . . . . . 1.1 m -41.27 -37.54 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 1.6599999999999999 109.988 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 321' ' ' ILE . 1.4 mt -102.24 -83.18 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 2.3399999999999999 109.322 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 325' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -51.24 152.62 4.04 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 2.0899999999999999 108.004 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 326' ' ' PRO . . . . . 0.465 ' HG2' ' CG ' ' A' ' 360' ' ' PRO . 18.5 Cg_endo -74.98 -82.32 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.458 1.767 . . . . 1.1399999999999999 111.035 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 327' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 327' ' ' THR . 2.2 t -126.4 98.73 5.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 1.9199999999999999 110.367 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.462 HD13 ' CD ' ' A' ' 329' ' ' PRO . 0.6 OUTLIER -115.41 162.15 26.26 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 1.78 109.311 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 329' ' ' PRO . . . . . 0.462 ' CD ' HD13 ' A' ' 328' ' ' LEU . 18.3 Cg_endo -74.98 -3.01 13.29 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.507 1.793 . . . . 3.5699999999999998 111.03 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 330' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 331' ' ' GLY . 0.8 OUTLIER 50.19 -155.23 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 3.1499999999999999 109.993 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 330' ' ' SER . . . 32.15 41.07 0.08 OUTLIER Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.55 1.156 . . . . 1.6899999999999999 110.984 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.492 HD13 ' HB3' ' A' ' 301' ' ' PHE . 2.1 mp -50.67 124.05 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.58 0.812 . . . . 1.98 109.327 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.09 -41.61 9.86 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.593 1.183 . . . . 2.9300000000000002 110.308 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 334' ' ' ALA . . . . . . . . . . . . . . . -150.28 136.87 19.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 1.2 109.313 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -127.35 133.75 50.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 1.1599999999999999 109.344 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 336' ' ' TYR . . . . . 0.542 ' CG ' ' O ' ' A' ' 336' ' ' TYR . 7.3 p90 -151.36 123.43 8.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 3.1200000000000001 111.007 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 337' ' ' GLU . . . . . 0.59 ' HB3' HG12 ' A' ' 344' ' ' VAL . 2.7 pt-20 -117.99 154.44 31.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 3.7999999999999998 110.291 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . 0.843 HD11 ' HB3' ' A' ' 385' ' ' PHE . 27.2 mm -126.64 98.34 4.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 3.79 109.288 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -46.47 -28.27 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 4.21 110.328 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . 0.532 ' HB3' HG22 ' A' ' 338' ' ' ILE . . . -61.09 -40.72 94.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 1.8899999999999999 109.312 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.66 -10.38 37.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 3.54 110.3 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 342' ' ' ASN . . . . . . . . . . . . . 2.1 t30 53.39 42.49 32.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 2.4100000000000001 109.304 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . 0.454 ' NE2' HD11 ' A' ' 354' ' ' LEU . 36.1 mt-30 -134.88 178.52 6.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 2.71 110.276 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 344' ' ' VAL . . . . . 0.59 HG12 ' HB3' ' A' ' 337' ' ' GLU . 15.3 m -142.94 167.59 14.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 2.9500000000000002 109.282 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 345' ' ' PHE . . . . . 0.648 ' C ' HD22 ' A' ' 346' ' ' LEU . 77.9 m-85 -152.36 138.59 18.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 3.2200000000000002 111.011 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 0.742 HD23 HD13 ' A' ' 355' ' ' ILE . 2.2 mm? -124.14 122.13 37.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 1.78 109.397 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 347' ' ' PHE . . . . . 0.452 ' CD2' HD13 ' A' ' 380' ' ' ILE . 11.2 m-30 -95.84 143.74 26.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 3.1499999999999999 111.029 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 348' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 351' ' ' LYS . 45.7 tptt -165.04 114.46 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 3.5499999999999998 109.267 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.5 t70 58.81 -150.63 0.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 3.2799999999999998 109.258 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 350' ' ' ASP . . . . . 0.446 ' O ' ' CG ' ' A' ' 351' ' ' LYS . 1.4 p-10 -87.65 40.56 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 2.8100000000000001 109.306 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 350' ' ' ASP . 4.2 mtmp? -156.57 148.54 22.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 2.1600000000000001 109.287 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 352' ' ' TYR . . . . . 0.6 ' CD1' HG23 ' A' ' 368' ' ' ILE . 32.5 p90 -145.42 132.19 20.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 2.54 111.003 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 353' ' ' TRP . . . . . 0.517 ' CZ3' ' O ' ' A' ' 361' ' ' GLU . 11.1 m95 -89.87 174.0 7.93 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.99 -1.115 . . . . 6.0 107.99 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 354' ' ' LEU . . . . . 0.516 HD13 ' CE1' ' A' ' 345' ' ' PHE . 1.7 tp -135.41 114.58 12.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 1.78 109.326 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.742 HD13 HD23 ' A' ' 346' ' ' LEU . 1.9 mp -104.3 118.16 51.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 1.53 109.32 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 356' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 358' ' ' LEU . 90.7 p -101.55 101.39 11.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 2.3900000000000001 110.005 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 357' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 69.49 -62.38 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.08 . . . . 4.1500000000000004 109.337 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 356' ' ' SER . 1.8 tp -172.11 73.32 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 4.4100000000000001 109.282 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 359' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 175.16 106.54 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 4.1500000000000004 110.31 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 360' ' ' PRO . . . . . 0.465 ' CG ' ' HG2' ' A' ' 326' ' ' PRO . 18.0 Cg_endo -75.06 117.78 5.02 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.502 1.791 . . . . 1.8999999999999999 110.98 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 361' ' ' GLU . . . . . 0.517 ' O ' ' CZ3' ' A' ' 353' ' ' TRP . 3.5 mm-40 -40.62 123.94 1.85 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 2.1800000000000002 110.3 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 362' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 129.46 12.36 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.594 1.839 . . . . 1.78 111.004 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 363' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 61.02 62.81 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 3.6899999999999999 109.261 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 364' ' ' TYR . . . . . 0.576 ' CD1' ' HE3' ' A' ' 366' ' ' LYS . 0.5 OUTLIER -136.08 55.56 12.25 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 3.0299999999999998 111.002 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . 0.565 ' HD3' ' N ' ' A' ' 364' ' ' TYR . 18.3 Cg_endo -74.94 51.72 2.84 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 1.24 111.001 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 366' ' ' LYS . . . . . 0.576 ' HE3' ' CD1' ' A' ' 364' ' ' TYR . 0.1 OUTLIER -54.79 156.96 3.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 1.6499999999999999 109.302 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 367' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 370' ' ' SER . 0.7 OUTLIER -119.95 118.41 30.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 2.5099999999999998 110.016 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . 0.6 HG23 ' CD1' ' A' ' 352' ' ' TYR . 1.2 pt -51.25 -37.99 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 1.8999999999999999 109.324 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 369' ' ' HIS . . . . . 0.554 ' C ' ' CD2' ' A' ' 369' ' ' HIS . 0.1 OUTLIER -62.68 -15.13 51.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 4.6100000000000003 109.584 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 370' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 367' ' ' SER . 17.7 t -64.54 -10.46 26.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 2.4300000000000002 109.982 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 371' ' ' PHE . . . . . 0.525 ' CD2' ' O ' ' A' ' 371' ' ' PHE . 5.0 p90 -152.03 29.53 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 7.7000000000000002 111.012 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 372' ' ' GLY . . . . . 0.526 ' O ' ' C ' ' A' ' 373' ' ' PHE . . . -142.44 -49.11 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.136 . . . . 3.1099999999999999 110.967 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 373' ' ' PHE . . . . . 0.643 ' O ' ' CD2' ' A' ' 373' ' ' PHE . 17.6 p90 27.33 59.27 0.56 Allowed Pre-proline 0 C--N 1.323 -0.557 0 O-C-N 124.474 0.749 . . . . 9.6400000000000006 110.973 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 374' ' ' PRO . . . . . 0.54 ' HB2' ' CZ2' ' A' ' 401' ' ' TRP . 18.5 Cg_endo -74.97 -4.61 15.66 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.526 1.803 . . . . 3.6000000000000001 111.039 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 64.18 30.57 13.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 5.3799999999999999 109.248 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 2.6 t80 178.61 50.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 5.9100000000000001 111.027 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 377' ' ' VAL . . . . . 0.409 HG21 HD12 ' A' ' 368' ' ' ILE . 0.4 OUTLIER -104.23 161.18 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 3.21 109.299 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.54 -39.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 3.8300000000000001 109.326 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -162.7 136.54 6.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 3.5099999999999998 109.292 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . 0.655 ' HA ' HG22 ' A' ' 396' ' ' VAL . 6.4 mt -93.73 149.46 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 1.28 109.274 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 381' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 429' ' ' ILE . 0.8 OUTLIER -89.12 -50.78 5.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 2.1800000000000002 109.336 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 382' ' ' ALA . . . . . 0.679 ' HB1' HG12 ' A' ' 432' ' ' VAL . . . -155.4 166.39 33.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.588 1.18 . . . . 0.93000000000000005 109.223 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 383' ' ' ALA . . . . . . . . . . . . . . . -156.67 120.98 4.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.79000000000000004 109.302 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . 0.716 ' O ' HG23 ' A' ' 392' ' ' THR . 2.1 t -128.24 145.39 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 2.4500000000000002 109.236 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 385' ' ' PHE . . . . . 0.843 ' HB3' HD11 ' A' ' 338' ' ' ILE . 0.1 OUTLIER -104.4 127.97 52.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 5.0 111.029 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -115.0 104.72 53.81 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 2.3900000000000001 109.321 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 387' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -12.06 21.36 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.465 1.771 . . . . 2.96 111.016 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 388' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.22 -30.61 34.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 2.8100000000000001 110.289 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 389' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -117.36 14.03 14.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 3.3100000000000001 111.011 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 390' ' ' TYR . . . . . 0.52 ' O ' ' CB ' ' A' ' 405' ' ' GLU . 28.1 m-85 38.84 45.97 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 3.2799999999999998 110.978 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 391' ' ' ARG . . . . . 0.502 ' CG ' ' N ' ' A' ' 392' ' ' THR . 17.8 ttt-85 -149.16 159.06 44.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 8.9100000000000001 110.307 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 392' ' ' THR . . . . . 0.716 HG23 ' O ' ' A' ' 384' ' ' VAL . 7.1 m -119.55 129.72 54.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.70999999999999996 110.393 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . 0.447 ' HB3' ' CE1' ' A' ' 395' ' ' PHE . 70.9 m-85 -79.28 100.56 7.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 1.72 110.999 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -91.21 101.33 14.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 2.1400000000000001 111.01 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . 0.447 ' CE1' ' HB3' ' A' ' 393' ' ' TYR . 94.3 m-85 -90.1 117.73 29.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 1.3999999999999999 110.985 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 396' ' ' VAL . . . . . 0.684 HG21 ' CZ3' ' A' ' 401' ' ' TRP . 51.0 t -137.16 128.84 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 1.99 109.244 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 397' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 56.15 -149.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 3.1499999999999999 109.346 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -88.2 40.0 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 2.9399999999999999 109.327 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 399' ' ' GLN . . . . . 0.751 ' O ' HD11 ' A' ' 418' ' ' ILE . 54.9 mt-30 -150.23 176.65 10.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 2.1299999999999999 110.297 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 400' ' ' TYR . . . . . 0.614 ' O ' ' CD1' ' A' ' 400' ' ' TYR . 16.5 p90 -136.27 129.13 31.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 6.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' TRP . . . . . 0.684 ' CZ3' HG21 ' A' ' 396' ' ' VAL . 15.8 m0 -91.64 170.38 9.97 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.04 -1.096 . . . . 5.8799999999999999 108.04 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.05 99.58 3.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 4.2999999999999998 110.294 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 403' ' ' TYR . . . . . 0.428 ' O ' ' CG ' ' A' ' 403' ' ' TYR . 14.1 t80 -102.27 85.17 2.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 5.4699999999999998 111.069 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -49.84 136.95 17.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 2.7799999999999998 109.359 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 390' ' ' TYR . 0.5 OUTLIER -101.67 -40.69 6.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 4.0099999999999998 110.329 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . 0.459 ' HB3' ' CB ' ' A' ' 390' ' ' TYR . 1.7 ppt_? -56.75 -36.25 69.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 8.6999999999999993 110.305 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 407' ' ' ARG . . . . . 0.462 ' O ' ' CB ' ' A' ' 408' ' ' GLN . 0.0 OUTLIER -100.08 -38.47 8.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 2.5699999999999998 110.271 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . 0.462 ' CB ' ' O ' ' A' ' 407' ' ' ARG . 2.9 tt0 83.5 22.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 2.9100000000000001 110.31 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.84 124.09 44.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 3.1299999999999999 110.959 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 410' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.86 138.29 36.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 3.04 111.007 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.86 138.69 78.3 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 3.54 109.264 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 412' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 111.59 3.36 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.476 1.777 . . . . 3.0099999999999998 111.015 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 40.14 93.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 3.3199999999999998 111.078 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 414' ' ' TYR . . . . . 0.431 ' CE1' ' HG3' ' A' ' 416' ' ' LYS . 1.6 t80 -132.81 62.16 60.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 4.3300000000000001 111.034 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 415' ' ' PRO . . . . . 0.501 ' CB ' ' OE1' ' A' ' 399' ' ' GLN . 18.4 Cg_endo -74.97 85.8 1.48 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.481 1.779 . . . . 3.29 110.994 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . 0.575 ' HB2' ' CE2' ' A' ' 400' ' ' TYR . 41.4 mmtt -101.14 -170.91 1.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 4.21 109.353 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.11 138.94 51.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 2.3500000000000001 109.253 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.751 HD11 ' O ' ' A' ' 399' ' ' GLN . 5.0 mt -69.16 -67.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 1.02 109.327 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 5.3 t -39.64 -31.56 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.414 1.071 . . . . 1.29 110.34 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 418' ' ' ILE . 10.6 mttt -69.58 -60.04 2.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 2.9700000000000002 109.279 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -58.07 -48.84 78.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 3.6000000000000001 109.334 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 422' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -120.92 103.36 9.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.524 1.14 . . . . 2.4399999999999999 111.018 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 423' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.38 99.26 12.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.177 . . . . 1.99 110.343 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 163.82 -38.34 0.32 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 1.4199999999999999 111.015 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 425' ' ' ILE . . . . . 0.674 HG22 ' CZ ' ' A' ' 442' ' ' PHE . 6.7 pt -82.83 -54.0 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.408 0.711 . . . . 2.5600000000000001 109.291 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 426' ' ' GLY . . . . . . . . . . . . . . . 128.65 168.05 12.32 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.12 . . . . 1.3200000000000001 111.02 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -10.16 21.12 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.533 1.807 . . . . 1.4399999999999999 111.05 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -125.43 133.74 52.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 3.23 109.245 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 429' ' ' ILE . . . . . 0.598 HD11 ' HB ' ' A' ' 425' ' ' ILE . 6.1 mm -138.34 119.04 16.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.523 1.14 . . . . 2.5 109.292 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.28 -49.91 73.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.433 1.083 . . . . 2.8399999999999999 109.317 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.742 ' HB1' HG22 ' A' ' 291' ' ' VAL . . . -169.57 158.31 7.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 1.45 109.288 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.679 HG12 ' HB1' ' A' ' 382' ' ' ALA . 3.8 p -159.02 153.69 5.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 2.2200000000000002 109.318 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 433' ' ' PHE . . . . . 0.535 ' HD2' HG23 ' A' ' 291' ' ' VAL . 7.9 p90 -153.27 174.6 14.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 3.23 111.04 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 434' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -103.42 134.96 45.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 4.2400000000000002 110.988 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . 0.633 ' CB ' HG21 ' A' ' 293' ' ' THR . 4.9 p -156.06 148.69 23.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 3.2200000000000002 110.0 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 436' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 435' ' ' SER . 0.6 OUTLIER 82.78 -128.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 4.8700000000000001 109.326 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 437' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -102.98 -49.43 3.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 5.0199999999999996 109.28 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.87 34.3 0.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 4.3799999999999999 109.336 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 439' ' ' TYR . . . . . 0.401 ' CD2' ' OD1' ' A' ' 452' ' ' ASP . 56.0 m-85 -100.26 132.16 45.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.599 1.187 . . . . 3.8500000000000001 111.04 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -110.78 113.62 26.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.475 1.109 . . . . 3.3500000000000001 110.969 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 441' ' ' TYR . . . . . 0.455 ' HB2' ' CE1' ' A' ' 433' ' ' PHE . 8.7 m-85 -102.14 85.51 2.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 3.1200000000000001 110.964 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . 0.674 ' CZ ' HG22 ' A' ' 425' ' ' ILE . 40.4 p90 -104.15 165.41 11.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 5.6399999999999997 110.975 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 443' ' ' PHE . . . . . 0.554 ' CE2' ' CG ' ' A' ' 448' ' ' GLN . 39.1 m-85 -127.64 121.64 31.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 4.7199999999999998 110.962 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -113.61 78.47 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 3.4100000000000001 110.297 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 88.44 -130.84 10.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.115 . . . . 2.29 110.982 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 10.8 p -95.42 36.51 1.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.769 . . . . 1.99 109.965 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 447' ' ' ASN . . . . . 0.447 ' ND2' ' N ' ' A' ' 447' ' ' ASN . 0.1 OUTLIER -143.78 136.48 27.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.135 . . . . 2.3399999999999999 109.259 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 448' ' ' GLN . . . . . 0.554 ' CG ' ' CE2' ' A' ' 443' ' ' PHE . 0.8 OUTLIER -105.87 95.0 5.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 2.8399999999999999 110.308 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 449' ' ' PHE . . . . . 0.633 ' CE2' ' CG2' ' A' ' 461' ' ' THR . 38.0 m-85 -95.39 143.51 26.68 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.436 1.085 . . . . 2.5099999999999998 111.029 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 0.505 ' O ' HG23 ' A' ' 458' ' ' ILE . 5.3 tm-20 -120.1 123.62 43.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.543 1.152 . . . . 4.3200000000000003 110.259 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 451' ' ' TYR . . . . . 0.401 ' CD1' HG23 ' A' ' 425' ' ' ILE . 2.8 t80 -100.9 160.12 14.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 2.8700000000000001 111.033 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 452' ' ' ASP . . . . . 0.401 ' OD1' ' CD2' ' A' ' 439' ' ' TYR . 43.2 m-20 -152.5 155.01 36.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 4.7999999999999998 109.275 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . 0.542 ' O ' ' CD1' ' A' ' 453' ' ' PHE . 39.0 t80 -83.71 -0.69 51.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 4.1900000000000004 110.959 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 40.2 tp -43.65 -55.34 4.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.395 1.06 . . . . 3.27 109.296 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -148.74 22.06 1.01 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.089 . . . . 2.7000000000000002 109.224 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 63.26 42.56 6.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 3.5099999999999998 110.239 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -143.92 158.55 43.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 4.3799999999999999 110.319 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 458' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 450' ' ' GLU . 3.6 mt -79.49 142.92 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 2.3799999999999999 109.326 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 41.9 p -96.61 -54.43 3.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 4.0199999999999996 110.386 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.62 154.3 26.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 4.4699999999999998 109.267 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . 0.633 ' CG2' ' CE2' ' A' ' 449' ' ' PHE . 2.3 m -153.46 95.35 1.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 2.7999999999999998 110.391 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -118.29 179.43 4.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 2.3900000000000001 109.25 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -93.89 166.23 12.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 3.0299999999999998 109.33 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 98.5 p -64.14 -51.29 64.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 2.4900000000000002 110.031 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 470' ' ' CYS . 75.0 m-20 -90.74 50.11 1.76 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 3.6400000000000001 109.264 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 44.1 t -116.77 -4.17 11.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 3.6499999999999999 109.977 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 467' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -113.92 -59.5 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 5.1600000000000001 108.064 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 468' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 470' ' ' CYS . 0.3 OUTLIER -38.55 -35.75 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.572 1.17 . . . . 7.1100000000000003 111.031 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 111.89 39.73 1.26 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.54 1.15 . . . . 2.7799999999999998 111.04 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 470' ' ' CYS . . . . . 0.567 ' HB2' ' CD1' ' A' ' 468' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 N-CA-C 108.274 -1.01 . . . . 5.0599999999999996 108.274 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 471' ' ' ' CA' . . . . . 0.98 'CA ' ' O ' ' A' ' 289' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_